N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide

C51H73Cl3N12O8 — CID 54185523

IUPACN-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide
SMILESC/C(CN(C)C(=O)c1cc(C)nc(C)c1)=N\OC/C(N)=N\O.CCCN1CCC(N2CCCC(CC(=O)NC)C2=O)CC1.Cc1cc(Cl)cc(C(=O)N(C)C/C(=N/OC/C(N)=N\O)C(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C21H23Cl3N4O3.C16H29N3O2.C14H21N5O3/c1-12-6-15(8-16(22)7-12)21(29)28(3)10-19(27-31-11-20(25)26-30)13(2)14-4-5-17(23)18(24)9-14;1-3-8-18-10-6-14(7-11-18)19-9-4-5-13(16(19)21)12-15(20)17-2;1-9-5-12(6-10(2)16-9)14(20)19(4)7-11(3)18-22-8-13(15)17-21/h4-9,13,30H,10-11H2,1-3H3,(H2,25,26);13-14H,3-12H2,1-2H3,(H,17,20);5-6,21H,7-8H2,1-4H3,(H2,15,17)/b27-19-;;18-11+
InChIKeyPEVAKWQDKWQTSY-QCZMEJCMSA-N
MW1088.58 g/mol
LogP7.09
Rot. Bonds19

About N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide

N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide (PubChem CID 54185523) has the molecular formula C51H73Cl3N12O8 and a molecular weight of 1088.58 g/mol. Its IUPAC name is N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide
PubChem CID54185523
Molecular FormulaC51H73Cl3N12O8
Molecular Weight1088.58 g/mol
Exact Mass1086.47
IUPAC NameN-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide
SMILESC/C(CN(C)C(=O)c1cc(C)nc(C)c1)=N\OC/C(N)=N\O.CCCN1CCC(N2CCCC(CC(=O)NC)C2=O)CC1.Cc1cc(Cl)cc(C(=O)N(C)C/C(=N/OC/C(N)=N\O)C(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C21H23Cl3N4O3.C16H29N3O2.C14H21N5O3/c1-12-6-15(8-16(22)7-12)21(29)28(3)10-19(27-31-11-20(25)26-30)13(2)14-4-5-17(23)18(24)9-14;1-3-8-18-10-6-14(7-11-18)19-9-4-5-13(16(19)21)12-15(20)17-2;1-9-5-12(6-10(2)16-9)14(20)19(4)7-11(3)18-22-8-13(15)17-21/h4-9,13,30H,10-11H2,1-3H3,(H2,25,26);13-14H,3-12H2,1-2H3,(H,17,20);5-6,21H,7-8H2,1-4H3,(H2,15,17)/b27-19-;;18-11+
InChIKeyPEVAKWQDKWQTSY-QCZMEJCMSA-N
XLogP7.09
TPSA266.56 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001088.58
LogP ≤ 57.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide with MolForge

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Related Compounds

N-[(2Z,3S)-5-[4-[3-(2-amino-2-oxoethyl)-2-oxopiperidin-1-yl]piperidin-1-yl]-3-(3,4-dichlorophenyl)-2-hydroxyiminopentyl]-3,5-dichloro-N-methylbenzamide
CID 102379523
3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-hydroxyiminopentyl]-N-methylbenzamide
CID 177489530
3,5-dichloro-N-[(2E,3R)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]pentyl]-N-methylbenzamide
CID 91580411
N-[(2E)-5-[4-[3-(2-amino-2-oxoethyl)-2-oxo-1,3-diazinan-1-yl]piperidin-1-yl]-3-(3,4-dichlorophenyl)-2-methoxyiminopentyl]-3,5-dichloro-N-methylbenzamide
CID 91014680
3,5-dichloro-N-[(2E)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-[(3S)-3-methyl-2,5-dioxopiperazin-1-yl]piperidin-1-yl]pentyl]-N-methylbenzamide
CID 90900312
3,5-dichloro-N-[(2Z)-2-methoxyimino-5-[4-(2-oxo-3-pyridin-2-yl-1,3-diazinan-1-yl)piperidin-1-yl]-3-phenylpentyl]-N-methylbenzamide
CID 10283075
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(3-methyl-2-sulfanylidene-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide;hydrochloride
CID 86589869
N-[2-(3,4-dichlorophenyl)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]butyl]-4-fluoro-N-methylbenzamide
CID 69223496
2-[3-[1-[(4Z)-5-[(3,5-dimethylbenzoyl)-methylamino]-4-methoxyimino-3-phenylpentyl]piperidin-4-yl]-2-oxo-1,3-diazinan-1-yl]-2-methylpropanoic acid
CID 10121849
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(6-oxo-2,3-dihydropyridin-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide;hydrochloride
CID 67747255
N-[2-(3,4-dichlorophenyl)-4-[4-(2-sulfanylidene-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide;dihydrochloride
CID 22137496
3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide
CID 59948072

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide (CID 54185523) is N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide is C/C(CN(C)C(=O)c1cc(C)nc(C)c1)=N\OC/C(N)=N\O.CCCN1CCC(N2CCCC(CC(=O)NC)C2=O)CC1.Cc1cc(Cl)cc(C(=O)N(C)C/C(=N/OC/C(N)=N\O)C(C)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is PEVAKWQDKWQTSY-QCZMEJCMSA-N. The full InChI is InChI=1S/C21H23Cl3N4O3.C16H29N3O2.C14H21N5O3/c1-12-6-15(8-16(22)7-12)21(29)28(3)10-19(27-31-11-20(25)26-30)13(2)14-4-5-17(23)18(24)9-14;1-3-8-18-10-6-14(7-11-18)19-9-4-5-13(16(19)21)12-15(20)17-2;1-9-5-12(6-10(2)16-9)14(20)19(4)7-11(3)18-22-8-13(15)17-21/h4-9,13,30H,10-11H2,1-3H3,(H2,25,26);13-14H,3-12H2,1-2H3,(H,17,20);5-6,21H,7-8H2,1-4H3,(H2,15,17)/b27-19-;;18-11+.
What are the key properties of N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide?
N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 1088.58 g/mol, XLogP of 7.09, 19 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-3-chloro-N,5-dimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-N,2,6-trimethylpyridine-4-carboxamide;N-methyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 54185523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).