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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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).