3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide

C19H22N2O3 — CID 4881441

IUPAC3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1cccc(CNC(=O)CC(NC(C)=O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-14(22)21-18(16-8-4-3-5-9-16)12-19(23)20-13-15-7-6-10-17(11-15)24-2/h3-11,18H,12-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRCYCFFOZKNDUGM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.58
Rot. Bonds7

About 3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide

3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide (PubChem CID 4881441) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide
PubChem CID4881441
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1cccc(CNC(=O)CC(NC(C)=O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3/c1-14(22)21-18(16-8-4-3-5-9-16)12-19(23)20-13-15-7-6-10-17(11-15)24-2/h3-11,18H,12-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRCYCFFOZKNDUGM-UHFFFAOYSA-N
XLogP2.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(4-methoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide (CID 4881441) is 3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide is COc1cccc(CNC(=O)CC(NC(C)=O)c2ccccc2)c1.
What is the InChIKey of 3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide?
The InChIKey is RCYCFFOZKNDUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(22)21-18(16-8-4-3-5-9-16)12-19(23)20-13-15-7-6-10-17(11-15)24-2/h3-11,18H,12-13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide?
3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide has a molecular weight of 326.40 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3-methoxyphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 4881441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).