4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid

C14H17NO3 — CID 115046067

IUPAC4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid
SMILESNC(=O)C1(c2ccccc2)CCC(C(=O)O)CC1
InChIInChI=1S/C14H17NO3/c15-13(18)14(11-4-2-1-3-5-11)8-6-10(7-9-14)12(16)17/h1-5,10H,6-9H2,(H2,15,18)(H,16,17)
InChIKeyCOGJRSWYSQCFNE-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.68
Rot. Bonds3

About 4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid

4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid (PubChem CID 115046067) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid
PubChem CID115046067
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid
SMILESNC(=O)C1(c2ccccc2)CCC(C(=O)O)CC1
InChIInChI=1S/C14H17NO3/c15-13(18)14(11-4-2-1-3-5-11)8-6-10(7-9-14)12(16)17/h1-5,10H,6-9H2,(H2,15,18)(H,16,17)
InChIKeyCOGJRSWYSQCFNE-UHFFFAOYSA-N
XLogP1.68
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid (CID 115046067) is 4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid is NC(=O)C1(c2ccccc2)CCC(C(=O)O)CC1.
What is the InChIKey of 4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid?
The InChIKey is COGJRSWYSQCFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c15-13(18)14(11-4-2-1-3-5-11)8-6-10(7-9-14)12(16)17/h1-5,10H,6-9H2,(H2,15,18)(H,16,17).
What are the key properties of 4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid?
4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115046067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).