4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C16H21NO3 — CID 63784141

IUPAC4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H21NO3/c1-11-2-4-12(5-3-11)10-17-15(18)13-6-8-14(9-7-13)16(19)20/h2-5,13-14H,6-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyUZWGRQUBIKRISA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.50
Rot. Bonds4

About 4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63784141) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63784141
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C16H21NO3/c1-11-2-4-12(5-3-11)10-17-15(18)13-6-8-14(9-7-13)16(19)20/h2-5,13-14H,6-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyUZWGRQUBIKRISA-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 171096980
4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672448
1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145059
1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148148
4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672579
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
4-N-(2,6-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148166
4-[(4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690624

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63784141) is 4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UZWGRQUBIKRISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-2-4-12(5-3-11)10-17-15(18)13-6-8-14(9-7-13)16(19)20/h2-5,13-14H,6-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63784141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).