1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide

C17H22N4O2 — CID 122134935

IUPAC1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCNC(=O)Nc1cccc(NC(=O)C2(C#N)CCCCC2)c1
InChIInChI=1S/C17H22N4O2/c1-2-19-16(23)21-14-8-6-7-13(11-14)20-15(22)17(12-18)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyPEOCDSBOKCZSAS-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.24
Rot. Bonds4

About 1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide

1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 122134935) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID122134935
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCNC(=O)Nc1cccc(NC(=O)C2(C#N)CCCCC2)c1
InChIInChI=1S/C17H22N4O2/c1-2-19-16(23)21-14-8-6-7-13(11-14)20-15(22)17(12-18)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyPEOCDSBOKCZSAS-UHFFFAOYSA-N
XLogP3.24
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide
CID 61458989
ethyl 3-[(1-cyanocyclohexanecarbonyl)amino]benzoate
CID 60584377
1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755854
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 31841999
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
1-cyano-N-[3-(1,3-dithian-2-yl)phenyl]cyclopentane-1-carboxamide
CID 39629590
methyl 3-[2-[3-[(1-cyanocyclopentanecarbonyl)amino]phenyl]ethynyl]benzoate
CID 38162313
1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 51096615

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide (CID 122134935) is 1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide is CCNC(=O)Nc1cccc(NC(=O)C2(C#N)CCCCC2)c1.
What is the InChIKey of 1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is PEOCDSBOKCZSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-19-16(23)21-14-8-6-7-13(11-14)20-15(22)17(12-18)9-4-3-5-10-17/h6-8,11H,2-5,9-10H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide?
1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 122134935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).