1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide

C17H24ClN3O2 — CID 119070824

IUPAC1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)NC(C)c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C17H24ClN3O2/c1-12(13-6-8-14(18)9-7-13)20-16(23)21-17(15(22)19-2)10-4-3-5-11-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyRPMOJFVJNGZCEY-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.15
Rot. Bonds4

About 1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide

1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide (PubChem CID 119070824) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
PubChem CID119070824
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)NC(C)c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C17H24ClN3O2/c1-12(13-6-8-14(18)9-7-13)20-16(23)21-17(15(22)19-2)10-4-3-5-11-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyRPMOJFVJNGZCEY-UHFFFAOYSA-N
XLogP3.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685506
1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
CID 95231374
1-[1-(4-chlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095918
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide
CID 125441446
1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide
CID 119061773
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
(2S)-2-[1-(4-chlorophenyl)ethylcarbamoylamino]propanoic acid
CID 54964203
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-carbamothioyl-N-[1-(4-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 80589221

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide (CID 119070824) is 1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(NC(=O)NC(C)c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is RPMOJFVJNGZCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12(13-6-8-14(18)9-7-13)20-16(23)21-17(15(22)19-2)10-4-3-5-11-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide?
1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 119070824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).