2-[acetyl(methyl)amino]-N-benzylpropanamide

C13H18N2O2 — CID 10037012

IUPAC2-[acetyl(methyl)amino]-N-benzylpropanamide
SMILESCC(=O)N(C)C(C)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(15(3)11(2)16)13(17)14-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,14,17)
InChIKeyOZIIQWNYJOLPPF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.17
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-benzylpropanamide

2-[acetyl(methyl)amino]-N-benzylpropanamide (PubChem CID 10037012) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-benzylpropanamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-benzylpropanamide
PubChem CID10037012
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[acetyl(methyl)amino]-N-benzylpropanamide
SMILESCC(=O)N(C)C(C)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10(15(3)11(2)16)13(17)14-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,14,17)
InChIKeyOZIIQWNYJOLPPF-UHFFFAOYSA-N
XLogP1.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide
CID 70458040
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-N-methyldec-9-enamide
CID 102203666
2-[acetyl(propan-2-yl)amino]-N-benzylacetamide
CID 113158122
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
N-benzyl-2-[benzyl(propanoyl)amino]propanamide
CID 133148772
(2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide
CID 125138149
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2,3-diamino-N-benzylbutanamide
CID 143155055
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-benzylpropanamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-benzylpropanamide (CID 10037012) is 2-[acetyl(methyl)amino]-N-benzylpropanamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-benzylpropanamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-benzylpropanamide is CC(=O)N(C)C(C)C(=O)NCc1ccccc1.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-benzylpropanamide?
The InChIKey is OZIIQWNYJOLPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(15(3)11(2)16)13(17)14-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,14,17).
What are the key properties of 2-[acetyl(methyl)amino]-N-benzylpropanamide?
2-[acetyl(methyl)amino]-N-benzylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-benzylpropanamide is sourced from PubChem (CID 10037012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).