(2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide

C16H22ClN3O2 — CID 95383338

IUPAC(2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide
SMILESC[C@H](NC(N)=O)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C16H22ClN3O2/c1-11(19-15(18)22)14(21)20-16(9-3-2-4-10-16)12-5-7-13(17)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,20,21)(H3,18,19,22)/t11-/m0/s1
InChIKeyKHBWWOJTCCSAJE-NSHDSACASA-N
MW323.82 g/mol
LogP2.67
Rot. Bonds4

About (2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide

(2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide (PubChem CID 95383338) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide
PubChem CID95383338
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name(2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide
SMILESC[C@H](NC(N)=O)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C16H22ClN3O2/c1-11(19-15(18)22)14(21)20-16(9-3-2-4-10-16)12-5-7-13(17)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,20,21)(H3,18,19,22)/t11-/m0/s1
InChIKeyKHBWWOJTCCSAJE-NSHDSACASA-N
XLogP2.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)cyclopentyl]butanamide
CID 119313669
N-[1-(4-chlorophenyl)cyclohexyl]-2-(methylamino)acetamide
CID 119764374
1-[1-(4-chlorophenyl)cyclohexyl]-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95760999
1-[1-(4-chlorophenyl)cyclohexyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95761001
N-[1-(4-methoxyphenyl)cyclohexyl]-2-methylpropanamide
CID 110478522
1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea
CID 110490871
N-[1-(4-chlorophenyl)cyclopropyl]-2-morpholin-4-ylpropanamide
CID 110446378
(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385
(1E,3Z)-1-N'-[1-(4-chlorophenyl)cyclopropyl]-2,3-dimethylpenta-1,3-diene-1,1,4-triamine;ethane
CID 145074797
(2S)-2-(carbamoylamino)-N-[3-(4-chlorophenyl)propyl]propanamide
CID 95328053
3-(2-aminophenyl)-N-[1-(4-chlorophenyl)cyclopentyl]propanamide;hydrochloride
CID 120610238
3-amino-N-[1-(4-chlorophenyl)cyclopentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766556

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide (CID 95383338) is (2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide is C[C@H](NC(N)=O)C(=O)NC1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of (2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide?
The InChIKey is KHBWWOJTCCSAJE-NSHDSACASA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11(19-15(18)22)14(21)20-16(9-3-2-4-10-16)12-5-7-13(17)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,20,21)(H3,18,19,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide?
(2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide has a molecular weight of 323.82 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-N-[1-(4-chlorophenyl)cyclohexyl]propanamide is sourced from PubChem (CID 95383338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).