2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

C17H23NO3 — CID 120546221

IUPAC2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CC(=O)NC2(C)CCCCC2C(=O)O)cc1
InChIInChI=1S/C17H23NO3/c1-12-6-8-13(9-7-12)11-15(19)18-17(2)10-4-3-5-14(17)16(20)21/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyLRXATNANHXLGKB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.69
Rot. Bonds4

About 2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120546221) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120546221
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CC(=O)NC2(C)CCCCC2C(=O)O)cc1
InChIInChI=1S/C17H23NO3/c1-12-6-8-13(9-7-12)11-15(19)18-17(2)10-4-3-5-14(17)16(20)21/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyLRXATNANHXLGKB-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
2-[3-(4-bromophenyl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546495
2-[[4-(cyanomethyl)benzoyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546510
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 120545463
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
2-[(3-ethylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546463
2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546195
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546102
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120546524
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120546386
2-methyl-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545686
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 120546221) is 2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is Cc1ccc(CC(=O)NC2(C)CCCCC2C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LRXATNANHXLGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-6-8-13(9-7-12)11-15(19)18-17(2)10-4-3-5-14(17)16(20)21/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120546221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).