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

C21H23NO4 — CID 120976401

IUPAC2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1-c1ccc(C(C)NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C21H23NO4/c1-13(22-20(23)17-11-12-18(17)21(24)25)14-7-9-15(10-8-14)16-5-3-4-6-19(16)26-2/h3-10,13,17-18H,11-12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyIGZRXKXRHAQKHT-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.65
Rot. Bonds6

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

2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976401) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976401
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccccc1-c1ccc(C(C)NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C21H23NO4/c1-13(22-20(23)17-11-12-18(17)21(24)25)14-7-9-15(10-8-14)16-5-3-4-6-19(16)26-2/h3-10,13,17-18H,11-12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyIGZRXKXRHAQKHT-UHFFFAOYSA-N
XLogP3.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide
CID 167814895
2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975148
2-[1-(3-methoxy-4-pentoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974995
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977968
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
trans-(1R,2R)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716098
2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978075
cis-(1R,2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716099
7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide
CID 119802470

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120976401) is 2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid is COc1ccccc1-c1ccc(C(C)NC(=O)C2CCC2C(=O)O)cc1.
What is the InChIKey of 2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is IGZRXKXRHAQKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13(22-20(23)17-11-12-18(17)21(24)25)14-7-9-15(10-8-14)16-5-3-4-6-19(16)26-2/h3-10,13,17-18H,11-12H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methoxyphenyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).