N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide

C30H40N4O4 — CID 3197281

IUPACN'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(CC2CCCO2)C(=O)CCCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C30H40N4O4/c1-22-15-17-23(18-16-22)29(30(37)32-24-9-3-2-4-10-24)34(21-25-11-8-20-38-25)28(36)14-7-13-27(35)33-26-12-5-6-19-31-26/h5-6,12,15-19,24-25,29H,2-4,7-11,13-14,20-21H2,1H3,(H,32,37)(H,31,33,35)
InChIKeyWDUODEZFGVNPRP-UHFFFAOYSA-N
MW520.67 g/mol
LogP4.70
Rot. Bonds11

About N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide

N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide (PubChem CID 3197281) has the molecular formula C30H40N4O4 and a molecular weight of 520.67 g/mol. Its IUPAC name is N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide
PubChem CID3197281
Molecular FormulaC30H40N4O4
Molecular Weight520.67 g/mol
Exact Mass520.30
IUPAC NameN'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(CC2CCCO2)C(=O)CCCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C30H40N4O4/c1-22-15-17-23(18-16-22)29(30(37)32-24-9-3-2-4-10-24)34(21-25-11-8-20-38-25)28(36)14-7-13-27(35)33-26-12-5-6-19-31-26/h5-6,12,15-19,24-25,29H,2-4,7-11,13-14,20-21H2,1H3,(H,32,37)(H,31,33,35)
InChIKeyWDUODEZFGVNPRP-UHFFFAOYSA-N
XLogP4.70
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.67
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide with MolForge

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Related Compounds

4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid [(S)-2-phenyl-1-(pyridin-2-ylcarbamoyl)-ethyl]-amide
CID 44303162
Pentanedioic acid cyclohexylcarbamoylmethyl-(tetrahydro-furan-2-ylmethyl)-amide pyridin-2-ylamide
CID 645755
N-(4-Fluoro-benzyl)-N'-(4-methyl-pyridin-2-yl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 647436
N-(Benzylcarbamoyl-methyl)-N-(2-methoxy-ethyl)-N'-pyridin-2-yl-succinamide
CID 650893
Pentanedioic acid benzyl-cyclopentylcarbamoylmethyl-amide pyridin-2-ylamide
CID 653349
Pentanedioic acid (cyclohexylcarbamoyl-p-tolyl-methyl)-(2-methoxy-ethyl)-amide pyridin-2-ylamide
CID 653797
N-[(3-Methyl-butylcarbamoyl)-methyl]-N'-pyridin-2-yl-N-(tetrahydro-furan-2-ylmethyl)-succinamide
CID 655765
N-[(4-Fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl]-N'-pyridin-2-yl-N-(tetrahydro-furan-2-ylmethyl)-succinamide
CID 656162
Pentanedioic acid cyclohexylcarbamoylmethyl-m-tolyl-amide pyridin-2-ylamide
CID 3197323
Pentanedioic acid cyclohexylcarbamoylmethyl-(2-ethyl-phenyl)-amide pyridin-2-ylamide
CID 3197325
N-(Benzylcarbamoyl-methyl)-N'-pyridin-2-yl-N-(tetrahydro-furan-2-ylmethyl)-succinamide
CID 3204821
N'-(4-methylphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204885

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide (CID 3197281) is N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide is Cc1ccc(C(C(=O)NC2CCCCC2)N(CC2CCCO2)C(=O)CCCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is WDUODEZFGVNPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O4/c1-22-15-17-23(18-16-22)29(30(37)32-24-9-3-2-4-10-24)34(21-25-11-8-20-38-25)28(36)14-7-13-27(35)33-26-12-5-6-19-31-26/h5-6,12,15-19,24-25,29H,2-4,7-11,13-14,20-21H2,1H3,(H,32,37)(H,31,33,35).
What are the key properties of N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 520.67 g/mol, XLogP of 4.70, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 3197281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).