2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid

C16H21NO3 — CID 28759748

IUPAC2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid
SMILESCN(C(=O)C1CCCCC1)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H21NO3/c1-17(16(20)13-5-3-2-4-6-13)14-9-7-12(8-10-14)11-15(18)19/h7-10,13H,2-6,11H2,1H3,(H,18,19)
InChIKeyDLYOIWPHICCCTB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.86
Rot. Bonds4

About 2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid

2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid (PubChem CID 28759748) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid
PubChem CID28759748
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid
SMILESCN(C(=O)C1CCCCC1)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H21NO3/c1-17(16(20)13-5-3-2-4-6-13)14-9-7-12(8-10-14)11-15(18)19/h7-10,13H,2-6,11H2,1H3,(H,18,19)
InChIKeyDLYOIWPHICCCTB-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
CID 113094811
N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide
CID 62971005
N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide
CID 113094937
N-(4-carbamothioylphenyl)-N-methylcycloheptanecarboxamide
CID 62969973
2-[4-[acetyl(methyl)amino]phenyl]acetic acid
CID 20670865
N-[4-(methanesulfonamido)phenyl]-N-methylcyclohexanecarboxamide
CID 113094578
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide
CID 113095001
2-[4-[acetyl(methyl)amino]phenyl]-N-cyclohexylacetamide
CID 110674830

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid (CID 28759748) is 2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid is CN(C(=O)C1CCCCC1)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid?
The InChIKey is DLYOIWPHICCCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17(16(20)13-5-3-2-4-6-13)14-9-7-12(8-10-14)11-15(18)19/h7-10,13H,2-6,11H2,1H3,(H,18,19).
What are the key properties of 2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid?
2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclohexanecarbonyl(methyl)amino]phenyl]acetic acid is sourced from PubChem (CID 28759748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).