(1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide

C23H26N2O2 — CID 87877733

IUPAC(1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide
SMILESCCOc1ccccc1-c1ccccc1C1CCCC[C@H]1C(=O)NCC#N
InChIInChI=1S/C23H26N2O2/c1-2-27-22-14-8-7-12-20(22)18-10-4-3-9-17(18)19-11-5-6-13-21(19)23(26)25-16-15-24/h3-4,7-10,12,14,19,21H,2,5-6,11,13,16H2,1H3,(H,25,26)/t19?,21-/m1/s1
InChIKeyWOUIICMURSZJRD-VGAJERRHSA-N
MW362.47 g/mol
LogP4.67
Rot. Bonds6

About (1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide

(1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 87877733) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide
PubChem CID87877733
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide
SMILESCCOc1ccccc1-c1ccccc1C1CCCC[C@H]1C(=O)NCC#N
InChIInChI=1S/C23H26N2O2/c1-2-27-22-14-8-7-12-20(22)18-10-4-3-9-17(18)19-11-5-6-13-21(19)23(26)25-16-15-24/h3-4,7-10,12,14,19,21H,2,5-6,11,13,16H2,1H3,(H,25,26)/t19?,21-/m1/s1
InChIKeyWOUIICMURSZJRD-VGAJERRHSA-N
XLogP4.67
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclohexane-1-carboxamide
CID 11256613
(1R)-N-(cyanomethyl)-2-[2-[4-(2-methylpropyl)phenyl]phenyl]cyclohexane-1-carboxamide
CID 87877482
(1R)-N-(cyanomethyl)-2-[2-(3-propan-2-ylphenyl)phenyl]cyclohexane-1-carboxamide
CID 87236089
(1R)-N-(cyanomethyl)-2-[2-(3-nitrophenyl)phenyl]cyclohexane-1-carboxamide
CID 87877407
N-(cyanomethyl)-2-[2-(3-nitrophenyl)phenyl]cyclohexane-1-carboxamide
CID 11473943
N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide
CID 87760214
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
2-(5-tert-butyl-2-phenylphenyl)-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 87839806
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
CID 116584488

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of (1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide (CID 87877733) is (1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide is CCOc1ccccc1-c1ccccc1C1CCCC[C@H]1C(=O)NCC#N.
What is the InChIKey of (1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is WOUIICMURSZJRD-VGAJERRHSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-27-22-14-8-7-12-20(22)18-10-4-3-9-17(18)19-11-5-6-13-21(19)23(26)25-16-15-24/h3-4,7-10,12,14,19,21H,2,5-6,11,13,16H2,1H3,(H,25,26)/t19?,21-/m1/s1.
What are the key properties of (1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide?
(1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 87877733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).