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

C22H27NO3 — CID 110615936

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

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

3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide (PubChem CID 110615936) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
PubChem CID110615936
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccc(CCNC(=O)CC(c2ccccc2)C2CC2)c(OC)c1
InChIInChI=1S/C22H27NO3/c1-25-19-11-10-18(21(14-19)26-2)12-13-23-22(24)15-20(17-8-9-17)16-6-4-3-5-7-16/h3-7,10-11,14,17,20H,8-9,12-13,15H2,1-2H3,(H,23,24)
InChIKeyMIRYQXVXNMFALY-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-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 110297343
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168006
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 110408765
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
CID 110407527
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110607051

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide (CID 110615936) is 3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide is COc1ccc(CCNC(=O)CC(c2ccccc2)C2CC2)c(OC)c1.
What is the InChIKey of 3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is MIRYQXVXNMFALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-25-19-11-10-18(21(14-19)26-2)12-13-23-22(24)15-20(17-8-9-17)16-6-4-3-5-7-16/h3-7,10-11,14,17,20H,8-9,12-13,15H2,1-2H3,(H,23,24).
What are the key properties of 3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
3-cyclopropyl-N-[2-(2,4-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-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 110615936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).