N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide

C15H18N2O2 — CID 82120953

IUPACN-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCCCC1CO
InChIInChI=1S/C15H18N2O2/c16-9-11-5-2-4-8-14(11)17-15(19)13-7-3-1-6-12(13)10-18/h2,4-5,8,12-13,18H,1,3,6-7,10H2,(H,17,19)
InChIKeyKLDDRSDWCUYBPL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.30
Rot. Bonds3

About N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide

N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide (PubChem CID 82120953) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
PubChem CID82120953
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCCCC1CO
InChIInChI=1S/C15H18N2O2/c16-9-11-5-2-4-8-14(11)17-15(19)13-7-3-1-6-12(13)10-18/h2,4-5,8,12-13,18H,1,3,6-7,10H2,(H,17,19)
InChIKeyKLDDRSDWCUYBPL-UHFFFAOYSA-N
XLogP2.30
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82123218
1-N-(2-cyanophenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109131004
cis-(1R,2R)-N-(2-cyanophenyl)-2-(4-methylpentyl)cyclopropane-1-carboxamide
CID 832649
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
CID 3093789
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
N-(2-cyanophenyl)-1,1-dioxothiane-2-carboxamide
CID 104519233
N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178518
(2-cyanophenyl)urea
CID 13155570
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82121754

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide (CID 82120953) is N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide is N#Cc1ccccc1NC(=O)C1CCCCC1CO.
What is the InChIKey of N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
The InChIKey is KLDDRSDWCUYBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-9-11-5-2-4-8-14(11)17-15(19)13-7-3-1-6-12(13)10-18/h2,4-5,8,12-13,18H,1,3,6-7,10H2,(H,17,19).
What are the key properties of N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide?
N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 82120953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).