2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid

C17H23NO3 — CID 43579997

IUPAC2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(c1ccccc1)N(C)C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C17H23NO3/c1-12(13-8-4-3-5-9-13)18(2)16(19)14-10-6-7-11-15(14)17(20)21/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H,20,21)
InChIKeyGPUZFNRZGMYCAO-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.10
Rot. Bonds4

About 2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 43579997) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID43579997
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(c1ccccc1)N(C)C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C17H23NO3/c1-12(13-8-4-3-5-9-13)18(2)16(19)14-10-6-7-11-15(14)17(20)21/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H,20,21)
InChIKeyGPUZFNRZGMYCAO-UHFFFAOYSA-N
XLogP3.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl(1-phenylethyl)carbamic acid
CID 67062794
N-methyl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 63005298
cis-(1R,2S)-2-[[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22842791
3-[methyl-[(1S)-1-(4-phenoxyphenyl)ethyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 67664652
trans-(1S,2S)-2-[(2-bromophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 46930368
2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 3791717
N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51286352
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51232488
cis-(1R,2S)-2-[2-(N-[(1S,2S)-2-carboxycyclohexanecarbonyl]anilino)ethyl-phenylcarbamoyl]cyclohexane-1-carboxylic acid
CID 51863308
2-[cyclohexyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977670
N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide
CID 77014726
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977341

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 43579997) is 2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid is CC(c1ccccc1)N(C)C(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GPUZFNRZGMYCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(13-8-4-3-5-9-13)18(2)16(19)14-10-6-7-11-15(14)17(20)21/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43579997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).