2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid

C16H20N2O2 — CID 65243369

IUPAC2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid
SMILESCN(c1ccc(C#N)cc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H20N2O2/c1-18(14-7-5-13(12-17)6-8-14)16(11-15(19)20)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,19,20)
InChIKeyNWMYGJYCBWMVBQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.17
Rot. Bonds4

About 2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid

2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid (PubChem CID 65243369) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid
PubChem CID65243369
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid
SMILESCN(c1ccc(C#N)cc1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H20N2O2/c1-18(14-7-5-13(12-17)6-8-14)16(11-15(19)20)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,19,20)
InChIKeyNWMYGJYCBWMVBQ-UHFFFAOYSA-N
XLogP3.17
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bromo-4-cyano-N-methylanilino)cyclohexyl]acetic acid
CID 82785375
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-(4-cyanoanilino)cyclopentyl]acetic acid
CID 64701364
1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide
CID 55141779
2-[1-[(1-ethylimidazol-2-yl)-methylamino]cyclohexyl]acetic acid
CID 65243411
4-[[1-(dimethylamino)cyclopentyl]methoxy]benzonitrile
CID 23087108
2-[1-[methyl(2-phenoxyethyl)amino]cyclohexyl]acetic acid
CID 65243426
2-[1-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]acetic acid
CID 65243216
2-[1-(4-cyanoanilino)cyclobutyl]acetic acid
CID 79845517
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
CID 65464094
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid (CID 65243369) is 2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid is CN(c1ccc(C#N)cc1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid?
The InChIKey is NWMYGJYCBWMVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(14-7-5-13(12-17)6-8-14)16(11-15(19)20)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid?
2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyano-N-methylanilino)cyclohexyl]acetic acid is sourced from PubChem (CID 65243369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).