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

C18H25NO3 — CID 5061547

IUPAC2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C18H25NO3/c1-11(2)13-10-6-7-12(3)16(13)19-17(20)14-8-4-5-9-15(14)18(21)22/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyKONSOSSLUBJREG-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.95
Rot. Bonds4

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

2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 5061547) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID5061547
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C18H25NO3/c1-11(2)13-10-6-7-12(3)16(13)19-17(20)14-8-4-5-9-15(14)18(21)22/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyKONSOSSLUBJREG-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-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
(1S,2R,3S,4S)-3-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51014204
N-(2-methyl-6-propan-2-ylphenyl)piperidine-2-carboxamide
CID 10730082
1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 47032242
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
(1S,6R)-6-[(2,6-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7109014
4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149581
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130528
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-(2-methyl-6-propan-2-ylphenyl)thiolane-3-carboxamide
CID 110858311

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 5061547) is 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1cccc(C(C)C)c1NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is KONSOSSLUBJREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-11(2)13-10-6-7-12(3)16(13)19-17(20)14-8-4-5-9-15(14)18(21)22/h6-7,10-11,14-15H,4-5,8-9H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(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 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 5061547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).