N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide

C23H26N2O2 — CID 100744658

IUPACN-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C#N
InChIInChI=1S/C23H26N2O2/c1-2-15-27-21-12-11-20(16-18(21)17-24)25-22(26)23(13-7-4-8-14-23)19-9-5-3-6-10-19/h3,5-6,9-12,16H,2,4,7-8,13-15H2,1H3,(H,25,26)
InChIKeyFRAWIDYLJTWUSK-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.19
Rot. Bonds6

About N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide

N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide (PubChem CID 100744658) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide
PubChem CID100744658
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C#N
InChIInChI=1S/C23H26N2O2/c1-2-15-27-21-12-11-20(16-18(21)17-24)25-22(26)23(13-7-4-8-14-23)19-9-5-3-6-10-19/h3,5-6,9-12,16H,2,4,7-8,13-15H2,1H3,(H,25,26)
InChIKeyFRAWIDYLJTWUSK-UHFFFAOYSA-N
XLogP5.19
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
N-(4-butoxy-3-cyanophenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 100722065
N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100720957
N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743841
N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide
CID 100751895
N-(4-butoxy-3-cyanophenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100761993
N-(4-butoxy-3-cyanophenyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100748445
1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100675916
N-(3-methyl-4-propoxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659685
N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide
CID 134044735
1-(2-chlorophenyl)-N-[3-cyano-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100747004
[2-cyano-4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl] acetate
CID 100720556

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide (CID 100744658) is N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide is CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C#N.
What is the InChIKey of N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide?
The InChIKey is FRAWIDYLJTWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-15-27-21-12-11-20(16-18(21)17-24)25-22(26)23(13-7-4-8-14-23)19-9-5-3-6-10-19/h3,5-6,9-12,16H,2,4,7-8,13-15H2,1H3,(H,25,26).
What are the key properties of N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide?
N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 100744658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).