2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide

C23H29N3O2 — CID 176904214

IUPAC2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CCCC2NC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-15(2)16-11-13-18(14-12-16)21(17-7-4-3-5-8-17)26-22(27)19-9-6-10-20(19)25-23(24)28/h3-5,7-8,11-15,19-21H,6,9-10H2,1-2H3,(H,26,27)(H3,24,25,28)
InChIKeyRRYSIESKKIKTRL-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.85
Rot. Bonds6

About 2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide

2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 176904214) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID176904214
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CCCC2NC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-15(2)16-11-13-18(14-12-16)21(17-7-4-3-5-8-17)26-22(27)19-9-6-10-20(19)25-23(24)28/h3-5,7-8,11-15,19-21H,6,9-10H2,1-2H3,(H,26,27)(H3,24,25,28)
InChIKeyRRYSIESKKIKTRL-UHFFFAOYSA-N
XLogP3.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(carbamoylamino)-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 171097050
2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 171097114
(1S)-2-[[(1R)-1-phenylethyl]amino]-N-propan-2-ylcyclopentane-1-carboxamide
CID 143582335
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140067
(1R,6R)-6-(benzhydrylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1139576
trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide
CID 124738701

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide (CID 176904214) is 2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide is CC(C)c1ccc(C(NC(=O)C2CCCC2NC(N)=O)c2ccccc2)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is RRYSIESKKIKTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15(2)16-11-13-18(14-12-16)21(17-7-4-3-5-8-17)26-22(27)19-9-6-10-20(19)25-23(24)28/h3-5,7-8,11-15,19-21H,6,9-10H2,1-2H3,(H,26,27)(H3,24,25,28).
What are the key properties of 2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide?
2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 176904214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).