N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one

C190H378N12O21S2 — CID 167677672

IUPACN,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one
SMILESCCCCCCC.CCCCCCC(=O)CCCCCC.CCCCCCNC(=O)CCCCCC.CCCCCCNC(=O)CCCCCC(=O)CCCCCC.CCCCCCNC(=O)CCCCCC(=O)NCCCCCC.CCCCCCNC(=O)CCCCCN1C(=O)CC(SCCCCCC)C1=O.CCCCCCNC(=O)CCCCCOC(=O)NCCCCCC.CCCCCCNC(=O)OCCCCCC.CCCCCCNC(=O)OCCCCCC(=O)CCCCCC.CCCCCCNCCCCCC.CCCCCCOCCCCCC.CCCCCCSC1CC(=O)N(CCCCCC(=O)CCCCCC)C1=O
InChIInChI=1S/C22H40N2O3S.C22H39NO3S.C19H38N2O3.C19H38N2O2.C19H37NO3.C19H37NO2.C13H27NO2.C13H27NO.C13H26O.C12H27N.C12H26O.C7H16/c1-3-5-7-11-15-23-20(25)14-10-9-12-16-24-21(26)18-19(22(24)27)28-17-13-8-6-4-2;1-3-5-7-10-14-19(24)15-11-9-12-16-23-21(25)18-20(22(23)26)27-17-13-8-6-4-2;1-3-5-7-11-15-20-18(22)14-10-9-13-17-24-19(23)21-16-12-8-6-4-2;1-3-5-7-12-16-20-18(22)14-10-9-11-15-19(23)21-17-13-8-6-4-2;1-3-5-7-10-14-18(21)15-11-9-13-17-23-19(22)20-16-12-8-6-4-2;1-3-5-7-10-14-18(21)15-11-9-12-16-19(22)20-17-13-8-6-4-2;1-3-5-7-9-11-14-13(15)16-12-10-8-6-4-2;1-3-5-7-9-11-13(15)14-12-10-8-6-4-2;1-3-5-7-9-11-13(14)12-10-8-6-4-2;2*1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-6-4-2/h19H,3-18H2,1-2H3,(H,23,25);20H,3-18H2,1-2H3;3-17H2,1-2H3,(H,20,22)(H,21,23);3-17H2,1-2H3,(H,20,22)(H,21,23);3-17H2,1-2H3,(H,20,22);3-17H2,1-2H3,(H,20,22);3-12H2,1-2H3,(H,14,15);3-12H2,1-2H3,(H,14,15);3-12H2,1-2H3;13H,3-12H2,1-2H3;3-12H2,1-2H3;3-7H2,1-2H3
InChIKeyVBEWIZWAPPTZSQ-UHFFFAOYSA-N
MW3231.31 g/mol
LogP52.56
Rot. Bonds152

About N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one

N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one (PubChem CID 167677672) has the molecular formula C190H378N12O21S2 and a molecular weight of 3231.31 g/mol. Its IUPAC name is N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one.

Molecular Properties

Compound NameN,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one
PubChem CID167677672
Molecular FormulaC190H378N12O21S2
Molecular Weight3231.31 g/mol
Exact Mass3228.83
IUPAC NameN,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one
SMILESCCCCCCC.CCCCCCC(=O)CCCCCC.CCCCCCNC(=O)CCCCCC.CCCCCCNC(=O)CCCCCC(=O)CCCCCC.CCCCCCNC(=O)CCCCCC(=O)NCCCCCC.CCCCCCNC(=O)CCCCCN1C(=O)CC(SCCCCCC)C1=O.CCCCCCNC(=O)CCCCCOC(=O)NCCCCCC.CCCCCCNC(=O)OCCCCCC.CCCCCCNC(=O)OCCCCCC(=O)CCCCCC.CCCCCCNCCCCCC.CCCCCCOCCCCCC.CCCCCCSC1CC(=O)N(CCCCCC(=O)CCCCCC)C1=O
InChIInChI=1S/C22H40N2O3S.C22H39NO3S.C19H38N2O3.C19H38N2O2.C19H37NO3.C19H37NO2.C13H27NO2.C13H27NO.C13H26O.C12H27N.C12H26O.C7H16/c1-3-5-7-11-15-23-20(25)14-10-9-12-16-24-21(26)18-19(22(24)27)28-17-13-8-6-4-2;1-3-5-7-10-14-19(24)15-11-9-12-16-23-21(25)18-20(22(23)26)27-17-13-8-6-4-2;1-3-5-7-11-15-20-18(22)14-10-9-13-17-24-19(23)21-16-12-8-6-4-2;1-3-5-7-12-16-20-18(22)14-10-9-11-15-19(23)21-17-13-8-6-4-2;1-3-5-7-10-14-18(21)15-11-9-13-17-23-19(22)20-16-12-8-6-4-2;1-3-5-7-10-14-18(21)15-11-9-12-16-19(22)20-17-13-8-6-4-2;1-3-5-7-9-11-14-13(15)16-12-10-8-6-4-2;1-3-5-7-9-11-13(15)14-12-10-8-6-4-2;1-3-5-7-9-11-13(14)12-10-8-6-4-2;2*1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-6-4-2/h19H,3-18H2,1-2H3,(H,23,25);20H,3-18H2,1-2H3;3-17H2,1-2H3,(H,20,22)(H,21,23);3-17H2,1-2H3,(H,20,22)(H,21,23);3-17H2,1-2H3,(H,20,22);3-17H2,1-2H3,(H,20,22);3-12H2,1-2H3,(H,14,15);3-12H2,1-2H3,(H,14,15);3-12H2,1-2H3;13H,3-12H2,1-2H3;3-12H2,1-2H3;3-7H2,1-2H3
InChIKeyVBEWIZWAPPTZSQ-UHFFFAOYSA-N
XLogP52.56
TPSA453.89 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds152
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003231.31
LogP ≤ 552.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one with MolForge

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Related Compounds

3-[2-[6-[2,5-dioxo-3-[3-oxo-3-(pentylamino)propyl]sulfanylpyrrolidin-1-yl]-4-oxohexoxy]ethoxy]-N-pentylpropanamide
CID 158910983
6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen
CID 144887232
N-[1-amino-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[6-[2-[(2-methyl-3-oxobutan-2-yl)carbamoylamino]ethylamino]hexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]dodecanamide
CID 159590631
N-(2-tert-butylphosphanylethyl)-6-[3-(3-deuterio-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanamide
CID 126556143
3-[3-(2-aminoethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 89469249
6-[2-[3-[3-[6-[[5-[(6S)-6-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-oxopentanoyl]amino]hexylsulfanyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]-4-oxohexanamide
CID 159283869
3-[3-(4-iminopentylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-N-(4-methoxybutyl)propanamide
CID 59567289
3-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide;ethane
CID 145127902
N-(3-methylbutyl)-3-[3-(7-methyloctylsulfanyl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 139318601
8-[2-[2-[7-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)-5-oxoheptoxy]ethoxy]ethoxy]-4-oxooctanoic acid
CID 58071238
3-(2-aminoethylsulfanyl)-1-nonylpyrrolidine-2,5-dione
CID 512847
ethane;6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-N-[5-methyl-12-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-7-oxododecyl]hexanamide
CID 159284642

Frequently Asked Questions

What is the IUPAC name of N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one?
The IUPAC name of N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one (CID 167677672) is N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one.
What is the SMILES notation for N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one?
The canonical SMILES for N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one is CCCCCCC.CCCCCCC(=O)CCCCCC.CCCCCCNC(=O)CCCCCC.CCCCCCNC(=O)CCCCCC(=O)CCCCCC.CCCCCCNC(=O)CCCCCC(=O)NCCCCCC.CCCCCCNC(=O)CCCCCN1C(=O)CC(SCCCCCC)C1=O.CCCCCCNC(=O)CCCCCOC(=O)NCCCCCC.CCCCCCNC(=O)OCCCCCC.CCCCCCNC(=O)OCCCCCC(=O)CCCCCC.CCCCCCNCCCCCC.CCCCCCOCCCCCC.CCCCCCSC1CC(=O)N(CCCCCC(=O)CCCCCC)C1=O.
What is the InChIKey of N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one?
The InChIKey is VBEWIZWAPPTZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O3S.C22H39NO3S.C19H38N2O3.C19H38N2O2.C19H37NO3.C19H37NO2.C13H27NO2.C13H27NO.C13H26O.C12H27N.C12H26O.C7H16/c1-3-5-7-11-15-23-20(25)14-10-9-12-16-24-21(26)18-19(22(24)27)28-17-13-8-6-4-2;1-3-5-7-10-14-19(24)15-11-9-12-16-23-21(25)18-20(22(23)26)27-17-13-8-6-4-2;1-3-5-7-11-15-20-18(22)14-10-9-13-17-24-19(23)21-16-12-8-6-4-2;1-3-5-7-12-16-20-18(22)14-10-9-11-15-19(23)21-17-13-8-6-4-2;1-3-5-7-10-14-18(21)15-11-9-13-17-23-19(22)20-16-12-8-6-4-2;1-3-5-7-10-14-18(21)15-11-9-12-16-19(22)20-17-13-8-6-4-2;1-3-5-7-9-11-14-13(15)16-12-10-8-6-4-2;1-3-5-7-9-11-13(15)14-12-10-8-6-4-2;1-3-5-7-9-11-13(14)12-10-8-6-4-2;2*1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-6-4-2/h19H,3-18H2,1-2H3,(H,23,25);20H,3-18H2,1-2H3;3-17H2,1-2H3,(H,20,22)(H,21,23);3-17H2,1-2H3,(H,20,22)(H,21,23);3-17H2,1-2H3,(H,20,22);3-17H2,1-2H3,(H,20,22);3-12H2,1-2H3,(H,14,15);3-12H2,1-2H3,(H,14,15);3-12H2,1-2H3;13H,3-12H2,1-2H3;3-12H2,1-2H3;3-7H2,1-2H3.
What are the key properties of N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one?
N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one has a molecular weight of 3231.31 g/mol, XLogP of 52.56, 152 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihexylheptanediamide;heptane;1-hexoxyhexane;[6-(hexylamino)-6-oxohexyl] N-hexylcarbamate;N-hexylheptanamide;N-hexylhexan-1-amine;hexyl N-hexylcarbamate;N-hexyl-6-(3-hexylsulfanyl-2,5-dioxopyrrolidin-1-yl)hexanamide;N-hexyl-7-oxotridecanamide;3-hexylsulfanyl-1-(6-oxododecyl)pyrrolidine-2,5-dione;6-oxododecyl N-hexylcarbamate;tridecan-7-one is sourced from PubChem (CID 167677672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).