N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide

C22H24N2O2 — CID 87760214

IUPACN-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1C1CCCCC1C(=O)NCC#N
InChIInChI=1S/C22H24N2O2/c1-26-21-12-11-17(16-7-3-2-4-8-16)15-20(21)18-9-5-6-10-19(18)22(25)24-14-13-23/h2-4,7-8,11-12,15,18-19H,5-6,9-10,14H2,1H3,(H,24,25)
InChIKeySXUCZPFMOWBBET-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.28
Rot. Bonds5

About N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide

N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide (PubChem CID 87760214) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide
PubChem CID87760214
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1C1CCCCC1C(=O)NCC#N
InChIInChI=1S/C22H24N2O2/c1-26-21-12-11-17(16-7-3-2-4-8-16)15-20(21)18-9-5-6-10-19(18)22(25)24-14-13-23/h2-4,7-8,11-12,15,18-19H,5-6,9-10,14H2,1H3,(H,24,25)
InChIKeySXUCZPFMOWBBET-UHFFFAOYSA-N
XLogP4.28
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.28
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

2-(5-tert-butyl-2-phenylphenyl)-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 87839806
N-(cyanomethyl)-2-[2-(2-methoxypyrimidin-5-yl)phenyl]cyclohexane-1-carboxamide
CID 11256613
N-(cyanomethyl)-2-[3-(4-methylsulfanylphenyl)phenyl]cyclohexane-1-carboxamide
CID 11428508
(1R)-N-(cyanomethyl)-2-[2-(3-phenylphenyl)ethynyl]cyclohexane-1-carboxamide
CID 87236005
N-(cyanomethyl)-2-[2-(3-nitrophenyl)phenyl]cyclohexane-1-carboxamide
CID 11473943
(1R)-N-(cyanomethyl)-2-[2-(2-ethoxyphenyl)phenyl]cyclohexane-1-carboxamide
CID 87877733
(1R)-N-(cyanomethyl)-2-[2-(3-propan-2-ylphenyl)phenyl]cyclohexane-1-carboxamide
CID 87236089
(1R)-N-(cyanomethyl)-2-[2-[4-(2-methylpropyl)phenyl]phenyl]cyclohexane-1-carboxamide
CID 87877482
2-(2-methoxy-5-methylphenyl)cycloheptane-1-carboxylic acid
CID 81008451
2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 82782977
N-(cyanomethyl)-2-(phenylsulfanylmethyl)cyclohexane-1-carboxamide
CID 70683941
(2S)-1-(2-chloro-5-phenylphenyl)-N-(cyanomethyl)pyrrolidine-2-carboxamide
CID 91400689

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide (CID 87760214) is N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide is COc1ccc(-c2ccccc2)cc1C1CCCCC1C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide?
The InChIKey is SXUCZPFMOWBBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-26-21-12-11-17(16-7-3-2-4-8-16)15-20(21)18-9-5-6-10-19(18)22(25)24-14-13-23/h2-4,7-8,11-12,15,18-19H,5-6,9-10,14H2,1H3,(H,24,25).
What are the key properties of N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide?
N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(2-methoxy-5-phenylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 87760214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).