N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide

C28H38N4O6 — CID 17148582

IUPACN,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(=O)NCCCOC
InChIInChI=1S/C28H38N4O6/c1-37-19-9-17-29-27(35)21-11-3-5-13-23(21)31-25(33)15-7-8-16-26(34)32-24-14-6-4-12-22(24)28(36)30-18-10-20-38-2/h3-6,11-14H,7-10,15-20H2,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)
InChIKeySSTXKIIZGGUWAX-UHFFFAOYSA-N
MW526.63 g/mol
LogP3.36
Rot. Bonds17

About N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide

N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide (PubChem CID 17148582) has the molecular formula C28H38N4O6 and a molecular weight of 526.63 g/mol. Its IUPAC name is N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
PubChem CID17148582
Molecular FormulaC28H38N4O6
Molecular Weight526.63 g/mol
Exact Mass526.28
IUPAC NameN,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(=O)NCCCOC
InChIInChI=1S/C28H38N4O6/c1-37-19-9-17-29-27(35)21-11-3-5-13-23(21)31-25(33)15-7-8-16-26(34)32-24-14-6-4-12-22(24)28(36)30-18-10-20-38-2/h3-6,11-14H,7-10,15-20H2,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)
InChIKeySSTXKIIZGGUWAX-UHFFFAOYSA-N
XLogP3.36
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.63
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
N-(3-methoxypropyl)-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]benzamide
CID 99969806
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 100525876
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
CID 21367326
2-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 55047330
2-methoxyethyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339136
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
ethyl 2-[[3-(3-methoxypropylamino)-3-oxopropanoyl]amino]benzoate
CID 108943413

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide?
The IUPAC name of N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide (CID 17148582) is N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide.
What is the SMILES notation for N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide?
The canonical SMILES for N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide is COCCCNC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(=O)NCCCOC.
What is the InChIKey of N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide?
The InChIKey is SSTXKIIZGGUWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O6/c1-37-19-9-17-29-27(35)21-11-3-5-13-23(21)31-25(33)15-7-8-16-26(34)32-24-14-6-4-12-22(24)28(36)30-18-10-20-38-2/h3-6,11-14H,7-10,15-20H2,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34).
What are the key properties of N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide?
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide has a molecular weight of 526.63 g/mol, XLogP of 3.36, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide is sourced from PubChem (CID 17148582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).