2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid

C15H19NO3 — CID 174637513

IUPAC2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid
SMILESNC(=O)c1ccc(C2CCC(CC(=O)O)CC2)cc1
InChIInChI=1S/C15H19NO3/c16-15(19)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)18/h5-8,10-11H,1-4,9H2,(H2,16,19)(H,17,18)
InChIKeyYBVDLJSNWLOFCH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.53
Rot. Bonds4

About 2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid

2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid (PubChem CID 174637513) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid
PubChem CID174637513
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid
SMILESNC(=O)c1ccc(C2CCC(CC(=O)O)CC2)cc1
InChIInChI=1S/C15H19NO3/c16-15(19)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)18/h5-8,10-11H,1-4,9H2,(H2,16,19)(H,17,18)
InChIKeyYBVDLJSNWLOFCH-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-carbonochloridoylphenyl)cyclohexyl]acetic acid
CID 87555105
2-[4-(4-ethylphenyl)cyclohexyl]acetic acid
CID 82295361
2-[4-[4-[3-(dimethylamino)prop-2-enoyl]phenyl]cyclohexyl]acetic acid
CID 69004624
2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68683333
2-[(3S)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68682784
2-[4-[4-[bromo(1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclohexyl]acetic acid
CID 123519025
4-piperidin-4-ylbenzamide;hydrochloride
CID 68719929
2-[4-[4-(phenylmethoxycarbonylamino)phenyl]cyclohexyl]acetic acid
CID 59464034
2-[4-[4-[(6-benzylpyridazin-3-yl)carbamoyl]phenyl]cyclohexyl]acetic acid
CID 56645799
2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid
CID 69054880
2-deuterio-4-(4-pentylcyclohexyl)benzamide
CID 175768755
2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid
CID 82295855

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid (CID 174637513) is 2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid is NC(=O)c1ccc(C2CCC(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid?
The InChIKey is YBVDLJSNWLOFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c16-15(19)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)18/h5-8,10-11H,1-4,9H2,(H2,16,19)(H,17,18).
What are the key properties of 2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid?
2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-carbamoylphenyl)cyclohexyl]acetic acid is sourced from PubChem (CID 174637513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).