3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide

C21H25NO3 — CID 51273236

IUPAC3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
SMILESCOc1cc(CCC(=O)NC2(c3ccccc3)CCC2)cc(OC)c1
InChIInChI=1S/C21H25NO3/c1-24-18-13-16(14-19(15-18)25-2)9-10-20(23)22-21(11-6-12-21)17-7-4-3-5-8-17/h3-5,7-8,13-15H,6,9-12H2,1-2H3,(H,22,23)
InChIKeyBUXAGFPHVLPPSL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.83
Rot. Bonds7

About 3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide

3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide (PubChem CID 51273236) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
PubChem CID51273236
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
SMILESCOc1cc(CCC(=O)NC2(c3ccccc3)CCC2)cc(OC)c1
InChIInChI=1S/C21H25NO3/c1-24-18-13-16(14-19(15-18)25-2)9-10-20(23)22-21(11-6-12-21)17-7-4-3-5-8-17/h3-5,7-8,13-15H,6,9-12H2,1-2H3,(H,22,23)
InChIKeyBUXAGFPHVLPPSL-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
CID 51264432
1-[(4-methoxyphenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216924
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
CID 110478988
N-(1-phenylcyclohexyl)butanamide
CID 110478581
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
2-(6-methoxy-1-benzofuran-3-yl)-N-(1-phenylcyclobutyl)acetamide
CID 55462664
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
CID 110465792
N-[1-(4-methoxyphenyl)cyclopropyl]-3-phenoxypropanamide
CID 113091150
N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 55983342
4-amino-N-[1-(3-methoxyphenyl)cyclopentyl]butanamide
CID 110460844
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide (CID 51273236) is 3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide is COc1cc(CCC(=O)NC2(c3ccccc3)CCC2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide?
The InChIKey is BUXAGFPHVLPPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-18-13-16(14-19(15-18)25-2)9-10-20(23)22-21(11-6-12-21)17-7-4-3-5-8-17/h3-5,7-8,13-15H,6,9-12H2,1-2H3,(H,22,23).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide?
3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide is sourced from PubChem (CID 51273236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).