2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide

C19H22N2O3 — CID 132651116

IUPAC2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-15(19(23)20-2)21(13-16-9-5-3-6-10-16)18(22)14-24-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,23)
InChIKeyDOVMAYXTFBPDMZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.23
Rot. Bonds7

About 2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide

2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide (PubChem CID 132651116) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
PubChem CID132651116
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-15(19(23)20-2)21(13-16-9-5-3-6-10-16)18(22)14-24-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,23)
InChIKeyDOVMAYXTFBPDMZ-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(2-phenoxyacetyl)amino]-N-butan-2-ylpropanamide
CID 132701864
(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100561244
(2S)-2-[benzyl-(2-phenoxyacetyl)amino]-N-methyl-3-phenylpropanamide
CID 100655342
(2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645348
(2S)-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100715965
2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149053
2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132656360
N-benzyl-4-(4-methoxyphenoxy)-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 132657894
(2R)-2-[benzyl-[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100647121
N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(4-methylphenyl)methyl]-4-phenoxybutanamide
CID 132655245
2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide
CID 132677805
2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 132703128

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide (CID 132651116) is 2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide?
The InChIKey is DOVMAYXTFBPDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15(19(23)20-2)21(13-16-9-5-3-6-10-16)18(22)14-24-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,23).
What are the key properties of 2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide?
2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide has a molecular weight of 326.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-phenoxyacetyl)amino]-N-methylpropanamide is sourced from PubChem (CID 132651116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).