2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid

C17H23NO3 — CID 119218559

IUPAC2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
SMILESCC1CCCC(CC(=O)Nc2ccccc2CC(=O)O)C1
InChIInChI=1S/C17H23NO3/c1-12-5-4-6-13(9-12)10-16(19)18-15-8-3-2-7-14(15)11-17(20)21/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyBLNOJZDBTSAIHY-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.47
Rot. Bonds5

About 2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid

2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid (PubChem CID 119218559) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
PubChem CID119218559
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
SMILESCC1CCCC(CC(=O)Nc2ccccc2CC(=O)O)C1
InChIInChI=1S/C17H23NO3/c1-12-5-4-6-13(9-12)10-16(19)18-15-8-3-2-7-14(15)11-17(20)21/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyBLNOJZDBTSAIHY-UHFFFAOYSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide
CID 119422441
N-[2-(ethylaminomethyl)phenyl]-2-(3-methylcyclopentyl)acetamide
CID 119440088
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
CID 119351587
N-[2-(aminomethyl)phenyl]-2-cyclobutylacetamide
CID 103164982
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
2-cyclobutyl-N-(2-iodophenyl)acetamide
CID 103706273
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid
CID 119224899
2-[2-[[2-(cyclopropylmethoxy)acetyl]amino]phenyl]acetic acid
CID 119218359
2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid
CID 120701566
N-[2-(chloromethyl)phenyl]-2-cyclopropylacetamide
CID 114298279
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
CID 94060517

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid (CID 119218559) is 2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid is CC1CCCC(CC(=O)Nc2ccccc2CC(=O)O)C1.
What is the InChIKey of 2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid?
The InChIKey is BLNOJZDBTSAIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-5-4-6-13(9-12)10-16(19)18-15-8-3-2-7-14(15)11-17(20)21/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid?
2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid has a molecular weight of 289.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119218559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).