4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid

C18H25NO3 — CID 120687281

IUPAC4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CC(C)C(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3/c1-12-3-5-14(6-4-12)11-13(2)17(20)19-16-9-7-15(8-10-16)18(21)22/h3-6,13,15-16H,7-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyCUYXSGGUFCRLPJ-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.93
Rot. Bonds5

About 4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid

4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120687281) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120687281
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CC(C)C(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3/c1-12-3-5-14(6-4-12)11-13(2)17(20)19-16-9-7-15(8-10-16)18(21)22/h3-6,13,15-16H,7-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyCUYXSGGUFCRLPJ-UHFFFAOYSA-N
XLogP2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 166193453
2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 120686696
3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 120689540
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103869698
4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]cyclohexane-1-carboxylic acid
CID 122030055
4-[(2-benzyl-3-sulfanylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 88611504
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid
CID 122032281
4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 162638258
4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120692306
2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide
CID 82120555
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid (CID 120687281) is 4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid is Cc1ccc(CC(C)C(=O)NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is CUYXSGGUFCRLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12-3-5-14(6-4-12)11-13(2)17(20)19-16-9-7-15(8-10-16)18(21)22/h3-6,13,15-16H,7-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120687281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).