3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide

C22H27NO3 — CID 110297293

IUPAC3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccc(CCNC(=O)CC(c2ccccc2)C2CC2)cc1OC
InChIInChI=1S/C22H27NO3/c1-25-20-11-8-16(14-21(20)26-2)12-13-23-22(24)15-19(18-9-10-18)17-6-4-3-5-7-17/h3-8,11,14,18-19H,9-10,12-13,15H2,1-2H3,(H,23,24)
InChIKeyOXMHBOSAGCCJPG-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.95
Rot. Bonds9

About 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide

3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide (PubChem CID 110297293) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
PubChem CID110297293
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccc(CCNC(=O)CC(c2ccccc2)C2CC2)cc1OC
InChIInChI=1S/C22H27NO3/c1-25-20-11-8-16(14-21(20)26-2)12-13-23-22(24)15-19(18-9-10-18)17-6-4-3-5-7-17/h3-8,11,14,18-19H,9-10,12-13,15H2,1-2H3,(H,23,24)
InChIKeyOXMHBOSAGCCJPG-UHFFFAOYSA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110615936
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
CID 110407527
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
CID 110415573
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811570
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 110425232
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951056
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 110408995
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide (CID 110297293) is 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide is COc1ccc(CCNC(=O)CC(c2ccccc2)C2CC2)cc1OC.
What is the InChIKey of 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is OXMHBOSAGCCJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-25-20-11-8-16(14-21(20)26-2)12-13-23-22(24)15-19(18-9-10-18)17-6-4-3-5-7-17/h3-8,11,14,18-19H,9-10,12-13,15H2,1-2H3,(H,23,24).
What are the key properties of 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 353.46 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 110297293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).