N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide

C21H29N3O3 — CID 3236722

IUPACN-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C21H29N3O3/c25-18(15-22-19(26)16-9-3-1-4-10-16)24-21(13-7-2-8-14-21)20(27)23-17-11-5-6-12-17/h1,3-4,9-10,17H,2,5-8,11-15H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyDBVBLQWNPCZEKK-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.29
Rot. Bonds6

About N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide

N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide (PubChem CID 3236722) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide
PubChem CID3236722
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NC1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C21H29N3O3/c25-18(15-22-19(26)16-9-3-1-4-10-16)24-21(13-7-2-8-14-21)20(27)23-17-11-5-6-12-17/h1,3-4,9-10,17H,2,5-8,11-15H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyDBVBLQWNPCZEKK-UHFFFAOYSA-N
XLogP2.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-benzamidoacetyl)amino]cyclopropane-1-carboxylic acid
CID 65450960
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
N-[2-(N-[1-(cyclopentylcarbamoyl)cyclohexyl]-4-methylanilino)-2-oxoethyl]benzamide
CID 3596023
N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 3993913
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]benzamide
CID 134056216
N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 47172514
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4313519
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
N-[2-(cyclopentylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705401
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide (CID 3236722) is N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NC1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide?
The InChIKey is DBVBLQWNPCZEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-18(15-22-19(26)16-9-3-1-4-10-16)24-21(13-7-2-8-14-21)20(27)23-17-11-5-6-12-17/h1,3-4,9-10,17H,2,5-8,11-15H2,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide?
N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide has a molecular weight of 371.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(cyclopentylcarbamoyl)cyclohexyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3236722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).