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

C18H25NO3 — CID 120550889

IUPAC3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(N(C)C(=O)C2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C18H25NO3/c1-12(2)13-7-9-16(10-8-13)19(3)17(20)14-5-4-6-15(11-14)18(21)22/h7-10,12,14-15H,4-6,11H2,1-3H3,(H,21,22)
InChIKeyVECGSKHNHHCPTA-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.66
Rot. Bonds4

About 3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120550889) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120550889
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(N(C)C(=O)C2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C18H25NO3/c1-12(2)13-7-9-16(10-8-13)19(3)17(20)14-5-4-6-15(11-14)18(21)22/h7-10,12,14-15H,4-6,11H2,1-3H3,(H,21,22)
InChIKeyVECGSKHNHHCPTA-UHFFFAOYSA-N
XLogP3.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977341
(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120636707
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783681
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150526
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119807722
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
3-[2-hydroxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784368
3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550637

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120550889) is 3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is CC(C)c1ccc(N(C)C(=O)C2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is VECGSKHNHHCPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(2)13-7-9-16(10-8-13)19(3)17(20)14-5-4-6-15(11-14)18(21)22/h7-10,12,14-15H,4-6,11H2,1-3H3,(H,21,22).
What are the key properties of 3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120550889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).