N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide

C20H24N2O3 — CID 4780403

IUPACN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)CCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-22(20(24)14-13-16-9-5-4-6-10-16)15-19(23)21-17-11-7-8-12-18(17)25-2/h4-12H,3,13-15H2,1-2H3,(H,21,23)
InChIKeyODYYQWZFNHCNOM-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.12
Rot. Bonds8

About N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide

N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide (PubChem CID 4780403) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide
PubChem CID4780403
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)CCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-22(20(24)14-13-16-9-5-4-6-10-16)15-19(23)21-17-11-7-8-12-18(17)25-2/h4-12H,3,13-15H2,1-2H3,(H,21,23)
InChIKeyODYYQWZFNHCNOM-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide (CID 4780403) is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)CCc1ccccc1.
What is the InChIKey of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is ODYYQWZFNHCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-22(20(24)14-13-16-9-5-4-6-10-16)15-19(23)21-17-11-7-8-12-18(17)25-2/h4-12H,3,13-15H2,1-2H3,(H,21,23).
What are the key properties of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide?
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 4780403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).