3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide

C22H26N2O3 — CID 55387919

IUPAC3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(CN(C(=O)CC(NC(C)=O)c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(25)23-21(18-6-4-3-5-7-18)14-22(26)24(19-10-11-19)15-17-8-12-20(27-2)13-9-17/h3-9,12-13,19,21H,10-11,14-15H2,1-2H3,(H,23,25)
InChIKeyKZCZXWGDYNQMEY-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.45
Rot. Bonds8

About 3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide

3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide (PubChem CID 55387919) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
PubChem CID55387919
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
SMILESCOc1ccc(CN(C(=O)CC(NC(C)=O)c2ccccc2)C2CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-16(25)23-21(18-6-4-3-5-7-18)14-22(26)24(19-10-11-19)15-17-8-12-20(27-2)13-9-17/h3-9,12-13,19,21H,10-11,14-15H2,1-2H3,(H,23,25)
InChIKeyKZCZXWGDYNQMEY-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 55835228
3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503
3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 134012020
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 34470758
benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596354
2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 51206705
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51206707
2-(4-benzoylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 9202236
(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide (CID 55387919) is 3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide is COc1ccc(CN(C(=O)CC(NC(C)=O)c2ccccc2)C2CC2)cc1.
What is the InChIKey of 3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide?
The InChIKey is KZCZXWGDYNQMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(25)23-21(18-6-4-3-5-7-18)14-22(26)24(19-10-11-19)15-17-8-12-20(27-2)13-9-17/h3-9,12-13,19,21H,10-11,14-15H2,1-2H3,(H,23,25).
What are the key properties of 3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide?
3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide has a molecular weight of 366.46 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 55387919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).