2-[N-(cyclohexylmethyl)anilino]acetic acid

C15H21NO2 — CID 60839263

IUPAC2-[N-(cyclohexylmethyl)anilino]acetic acid
SMILESO=C(O)CN(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18)12-16(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,17,18)
InChIKeyATZWUCRPLPSXAI-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.16
Rot. Bonds5

About 2-[N-(cyclohexylmethyl)anilino]acetic acid

2-[N-(cyclohexylmethyl)anilino]acetic acid (PubChem CID 60839263) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[N-(cyclohexylmethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(cyclohexylmethyl)anilino]acetic acid
PubChem CID60839263
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[N-(cyclohexylmethyl)anilino]acetic acid
SMILESO=C(O)CN(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c17-15(18)12-16(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,17,18)
InChIKeyATZWUCRPLPSXAI-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(pyridin-4-yl)amino]acetic acid
CID 43656331
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
2-[N-(cyclopropylmethyl)-4-ethylsulfanylanilino]acetic acid
CID 134176132
3-[N-(cyclohexylmethyl)-2-methylanilino]propanoic acid
CID 60838743
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid
CID 79182777
2-[N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)anilino]acetic acid
CID 79228516
[cyclohexylmethyl(sulfinato)amino]benzene
CID 57266078
2-[cyclopropylmethyl(quinoxalin-2-yl)amino]acetic acid
CID 62359121
2-[N-(2-fluoroethyl)anilino]acetic acid
CID 80695763
1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
CID 61446057
2-[3-chloro-N-(oxolan-3-ylmethyl)anilino]acetic acid
CID 61311488

Frequently Asked Questions

What is the IUPAC name of 2-[N-(cyclohexylmethyl)anilino]acetic acid?
The IUPAC name of 2-[N-(cyclohexylmethyl)anilino]acetic acid (CID 60839263) is 2-[N-(cyclohexylmethyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(cyclohexylmethyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(cyclohexylmethyl)anilino]acetic acid is O=C(O)CN(CC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-[N-(cyclohexylmethyl)anilino]acetic acid?
The InChIKey is ATZWUCRPLPSXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18)12-16(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,17,18).
What are the key properties of 2-[N-(cyclohexylmethyl)anilino]acetic acid?
2-[N-(cyclohexylmethyl)anilino]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(cyclohexylmethyl)anilino]acetic acid is sourced from PubChem (CID 60839263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).