N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide

C20H21NO3 — CID 110439041

IUPACN-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(C(C)=O)cc2)CCC1
InChIInChI=1S/C20H21NO3/c1-14(22)15-8-10-16(11-9-15)21-19(23)20(12-5-13-20)17-6-3-4-7-18(17)24-2/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,23)
InChIKeyXSDGXYZNQLLXNX-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.96
Rot. Bonds5

About N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide

N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide (PubChem CID 110439041) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
PubChem CID110439041
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(C(C)=O)cc2)CCC1
InChIInChI=1S/C20H21NO3/c1-14(22)15-8-10-16(11-9-15)21-19(23)20(12-5-13-20)17-6-3-4-7-18(17)24-2/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,23)
InChIKeyXSDGXYZNQLLXNX-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate
CID 110439045
1-(2-methoxyphenyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 110439711
1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 110439047
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439021
methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 110438930
N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110438984
5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 119255092
1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide
CID 110486813
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
1-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439650
2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 122109940

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide (CID 110439041) is N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide is COc1ccccc1C1(C(=O)Nc2ccc(C(C)=O)cc2)CCC1.
What is the InChIKey of N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is XSDGXYZNQLLXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14(22)15-8-10-16(11-9-15)21-19(23)20(12-5-13-20)17-6-3-4-7-18(17)24-2/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide?
N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110439041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).