4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C17H23NO4 — CID 120672169

IUPAC4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CCNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-22-15-8-2-12(3-9-15)10-11-18-16(19)13-4-6-14(7-5-13)17(20)21/h2-3,8-9,13-14H,4-7,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyIWCIQEGPXDEACI-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.24
Rot. Bonds6

About 4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672169) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672169
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CCNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-22-15-8-2-12(3-9-15)10-11-18-16(19)13-4-6-14(7-5-13)17(20)21/h2-3,8-9,13-14H,4-7,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyIWCIQEGPXDEACI-UHFFFAOYSA-N
XLogP2.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149176
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195
1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149171
(1S,6R)-6-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 737691
(3S,4S)-4-[4-[(cyclopropanecarbonylamino)methyl]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 125022795
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752348
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 11036347

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120672169) is 4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is COc1ccc(CCNC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is IWCIQEGPXDEACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-22-15-8-2-12(3-9-15)10-11-18-16(19)13-4-6-14(7-5-13)17(20)21/h2-3,8-9,13-14H,4-7,10-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).