4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C18H25NO3 — CID 120672180

IUPAC4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C18H25NO3/c1-11(2)15-6-4-5-12(3)16(15)19-17(20)13-7-9-14(10-8-13)18(21)22/h4-6,11,13-14H,7-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYEJHQXKKPPYVKR-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.95
Rot. Bonds4

About 4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672180) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672180
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C18H25NO3/c1-11(2)15-6-4-5-12(3)16(15)19-17(20)13-7-9-14(10-8-13)18(21)22/h4-6,11,13-14H,7-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYEJHQXKKPPYVKR-UHFFFAOYSA-N
XLogP3.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149581
4-N,4-N-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149435
2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 5061547
N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide
CID 110858311
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
(1S,2R,3S,4S)-3-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51014204
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006911
N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263416
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2,2-dimethyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837081
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120672180) is 4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1cccc(C(C)C)c1NC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is YEJHQXKKPPYVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-11(2)15-6-4-5-12(3)16(15)19-17(20)13-7-9-14(10-8-13)18(21)22/h4-6,11,13-14H,7-10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).