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

C16H21NO3 — CID 43341470

IUPAC4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C16H21NO3/c1-11-7-9-16(10-8-11,15(19)20)17-14(18)13-6-4-3-5-12(13)2/h3-6,11H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGHCAXNBRONYBBY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.76
Rot. Bonds3

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

4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43341470) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43341470
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1C(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C16H21NO3/c1-11-7-9-16(10-8-11,15(19)20)17-14(18)13-6-4-3-5-12(13)2/h3-6,11H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGHCAXNBRONYBBY-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341402
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
1-[(2,4-dimethylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341465
1-[(2,3-dihydroxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 114343273
1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43809184
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
1-[(3-chloropyridine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 66462007
4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341398
1-[(5-amino-2-bromobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 115297219
4-methyl-1-[[(2S)-2-phenylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 120688295
1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341477
1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 82826865

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 43341470) is 4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is Cc1ccccc1C(=O)NC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GHCAXNBRONYBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-7-9-16(10-8-11,15(19)20)17-14(18)13-6-4-3-5-12(13)2/h3-6,11H,7-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid?
4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).