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

C19H23NO3 — CID 871055

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3/c1-22-17-10-8-16(14-18(17)23-2)12-13-20-19(21)11-9-15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3,(H,20,21)
InChIKeyXZQORMQJAFYPRT-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.00
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide (PubChem CID 871055) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
PubChem CID871055
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3/c1-22-17-10-8-16(14-18(17)23-2)12-13-20-19(21)11-9-15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3,(H,20,21)
InChIKeyXZQORMQJAFYPRT-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide (CID 871055) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide is COc1ccc(CCNC(=O)CCc2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is XZQORMQJAFYPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-22-17-10-8-16(14-18(17)23-2)12-13-20-19(21)11-9-15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 871055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).