3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide

C21H25NO3 — CID 51264432

IUPAC3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2(c3ccccc3)CCC2)cc1OC
InChIInChI=1S/C21H25NO3/c1-24-18-11-9-16(15-19(18)25-2)10-12-20(23)22-21(13-6-14-21)17-7-4-3-5-8-17/h3-5,7-9,11,15H,6,10,12-14H2,1-2H3,(H,22,23)
InChIKeyIGRQWMMVUNRIAP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.83
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide (PubChem CID 51264432) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
PubChem CID51264432
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2(c3ccccc3)CCC2)cc1OC
InChIInChI=1S/C21H25NO3/c1-24-18-11-9-16(15-19(18)25-2)10-12-20(23)22-21(13-6-14-21)17-7-4-3-5-8-17/h3-5,7-9,11,15H,6,10,12-14H2,1-2H3,(H,22,23)
InChIKeyIGRQWMMVUNRIAP-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-(3,5-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide
CID 51273236
N-[1-(3-bromophenyl)cyclobutyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 55983342
3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 122194375
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]cyclopentane-1-carboxylic acid
CID 119176805
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
N-(1-phenylcyclohexyl)butanamide
CID 110478581
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide
CID 110479476

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide (CID 51264432) is 3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide is COc1ccc(CCC(=O)NC2(c3ccccc3)CCC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide?
The InChIKey is IGRQWMMVUNRIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-18-11-9-16(15-19(18)25-2)10-12-20(23)22-21(13-6-14-21)17-7-4-3-5-8-17/h3-5,7-9,11,15H,6,10,12-14H2,1-2H3,(H,22,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide?
3-(3,4-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-(3,4-dimethoxyphenyl)-N-(1-phenylcyclobutyl)propanamide is sourced from PubChem (CID 51264432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).