1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide

C21H24N2O3 — CID 53110550

IUPAC1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
SMILESCOc1cccc(CNC(=O)C2(c3ccc(NC(C)=O)cc3)CCC2)c1
InChIInChI=1S/C21H24N2O3/c1-15(24)23-18-9-7-17(8-10-18)21(11-4-12-21)20(25)22-14-16-5-3-6-19(13-16)26-2/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLREIKYDNKOPVNH-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.39
Rot. Bonds6

About 1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide

1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 53110550) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID53110550
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
SMILESCOc1cccc(CNC(=O)C2(c3ccc(NC(C)=O)cc3)CCC2)c1
InChIInChI=1S/C21H24N2O3/c1-15(24)23-18-9-7-17(8-10-18)21(11-4-12-21)20(25)22-14-16-5-3-6-19(13-16)26-2/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyLREIKYDNKOPVNH-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552
N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide
CID 53110439
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
CID 50827100
1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 53110383
1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 78816293
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
ethyl 2-[4-[1-(benzylcarbamoyl)cyclobutyl]anilino]-2-oxoacetate
CID 50827081
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 80597303
1-[4-(ethylsulfonylamino)phenyl]-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110686
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8791293

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide (CID 53110550) is 1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide is COc1cccc(CNC(=O)C2(c3ccc(NC(C)=O)cc3)CCC2)c1.
What is the InChIKey of 1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is LREIKYDNKOPVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(24)23-18-9-7-17(8-10-18)21(11-4-12-21)20(25)22-14-16-5-3-6-19(13-16)26-2/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide?
1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidophenyl)-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 53110550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).