N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide

C22H23N3O2 — CID 138502772

IUPACN-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide
SMILESN#Cc1ccc(NC(=O)CC2CCC(c3cccc(CN=O)c3)CC2)cc1
InChIInChI=1S/C22H23N3O2/c23-14-17-6-10-21(11-7-17)25-22(26)13-16-4-8-19(9-5-16)20-3-1-2-18(12-20)15-24-27/h1-3,6-7,10-12,16,19H,4-5,8-9,13,15H2,(H,25,26)
InChIKeyOAJYPAONYYBPHY-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.13
Rot. Bonds6

About N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide

N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide (PubChem CID 138502772) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide
PubChem CID138502772
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide
SMILESN#Cc1ccc(NC(=O)CC2CCC(c3cccc(CN=O)c3)CC2)cc1
InChIInChI=1S/C22H23N3O2/c23-14-17-6-10-21(11-7-17)25-22(26)13-16-4-8-19(9-5-16)20-3-1-2-18(12-20)15-24-27/h1-3,6-7,10-12,16,19H,4-5,8-9,13,15H2,(H,25,26)
InChIKeyOAJYPAONYYBPHY-UHFFFAOYSA-N
XLogP5.13
TPSA82.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[(1R,3S)-3-phenylcyclopentyl]acetamide
CID 121324973
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-(4-chlorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
CID 161440636
4-[[(3-cyclopropylphenyl)methylamino]methyl]benzonitrile
CID 79979512
N-[4-(hydroxymethyl)phenyl]-2-(4-phenylcyclohexyl)acetamide
CID 121325134
2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide
CID 174865932
3-[4-[2-(4-chloroanilino)-2-oxoethyl]cyclohexyl]benzoic acid
CID 121319777
ethane;2-(4-phenylcyclohexyl)-N-(4-phenylphenyl)acetamide
CID 145078209
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
CID 146986934
2-(3-cyclopropylphenyl)-N-(4-methoxyphenyl)acetamide
CID 166236800

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide (CID 138502772) is N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide is N#Cc1ccc(NC(=O)CC2CCC(c3cccc(CN=O)c3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide?
The InChIKey is OAJYPAONYYBPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-14-17-6-10-21(11-7-17)25-22(26)13-16-4-8-19(9-5-16)20-3-1-2-18(12-20)15-24-27/h1-3,6-7,10-12,16,19H,4-5,8-9,13,15H2,(H,25,26).
What are the key properties of N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide?
N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide is sourced from PubChem (CID 138502772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).