4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide

C17H24ClN3O2 — CID 95274422

IUPAC4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide
SMILESCC[C@H](NC(=O)C1CCC(NC(N)=O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2/c1-2-15(11-3-7-13(18)8-4-11)21-16(22)12-5-9-14(10-6-12)20-17(19)23/h3-4,7-8,12,14-15H,2,5-6,9-10H2,1H3,(H,21,22)(H3,19,20,23)/t12?,14?,15-/m0/s1
InChIKeyNIDVJTGXPXYWHI-ZALBZXLWSA-N
MW337.85 g/mol
LogP3.13
Rot. Bonds5

About 4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide

4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide (PubChem CID 95274422) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide
PubChem CID95274422
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide
SMILESCC[C@H](NC(=O)C1CCC(NC(N)=O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2/c1-2-15(11-3-7-13(18)8-4-11)21-16(22)12-5-9-14(10-6-12)20-17(19)23/h3-4,7-8,12,14-15H,2,5-6,9-10H2,1H3,(H,21,22)(H3,19,20,23)/t12?,14?,15-/m0/s1
InChIKeyNIDVJTGXPXYWHI-ZALBZXLWSA-N
XLogP3.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984546
tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate
CID 24613419
2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 115576766
2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974662
N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78982260
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
3-(4-chlorophenyl)-3-(cyclopentanecarbonylamino)propanoic acid
CID 45431108
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
(3S)-3-(4-chlorophenyl)-3-(cyclohexanecarbonylamino)propanoic acid
CID 718076
3-(4-chlorophenyl)-3-[[4-(2-hydroxypropan-2-yl)cyclohexanecarbonyl]amino]propanoic acid
CID 167769900

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide (CID 95274422) is 4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide is CC[C@H](NC(=O)C1CCC(NC(N)=O)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide?
The InChIKey is NIDVJTGXPXYWHI-ZALBZXLWSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-15(11-3-7-13(18)8-4-11)21-16(22)12-5-9-14(10-6-12)20-17(19)23/h3-4,7-8,12,14-15H,2,5-6,9-10H2,1H3,(H,21,22)(H3,19,20,23)/t12?,14?,15-/m0/s1.
What are the key properties of 4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide?
4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 95274422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).