2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid

C15H19NO3 — CID 115048821

IUPAC2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid
SMILESNC(=O)C1(c2ccccc2)CCC(CC(=O)O)CC1
InChIInChI=1S/C15H19NO3/c16-14(19)15(12-4-2-1-3-5-12)8-6-11(7-9-15)10-13(17)18/h1-5,11H,6-10H2,(H2,16,19)(H,17,18)
InChIKeyDEBKFRMSQMQAAW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.07
Rot. Bonds4

About 2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid

2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid (PubChem CID 115048821) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid
PubChem CID115048821
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid
SMILESNC(=O)C1(c2ccccc2)CCC(CC(=O)O)CC1
InChIInChI=1S/C15H19NO3/c16-14(19)15(12-4-2-1-3-5-12)8-6-11(7-9-15)10-13(17)18/h1-5,11H,6-10H2,(H2,16,19)(H,17,18)
InChIKeyDEBKFRMSQMQAAW-UHFFFAOYSA-N
XLogP2.07
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid
CID 115046067
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
N-deuterio-1-phenylcyclopropane-1-carboxamide
CID 175986247
4-fluoro-1-phenylcyclohexane-1-carboxylic acid
CID 83853907
1-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 174895931
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid
CID 67386533
N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64929111
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 22240919
1-methyl-4-phenylazepane-4-carboxamide;hydrate
CID 158339828

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid?
The IUPAC name of 2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid (CID 115048821) is 2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid?
The canonical SMILES for 2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid is NC(=O)C1(c2ccccc2)CCC(CC(=O)O)CC1.
What is the InChIKey of 2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid?
The InChIKey is DEBKFRMSQMQAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c16-14(19)15(12-4-2-1-3-5-12)8-6-11(7-9-15)10-13(17)18/h1-5,11H,6-10H2,(H2,16,19)(H,17,18).
What are the key properties of 2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid?
2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid is sourced from PubChem (CID 115048821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).