N-benzyl-N-(1-oxopropan-2-yl)acetamide

C12H15NO2 — CID 19757605

IUPACN-benzyl-N-(1-oxopropan-2-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1)C(C)C=O
InChIInChI=1S/C12H15NO2/c1-10(9-14)13(11(2)15)8-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyVNPDSMOEDXRMKI-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.62
Rot. Bonds4

About N-benzyl-N-(1-oxopropan-2-yl)acetamide

N-benzyl-N-(1-oxopropan-2-yl)acetamide (PubChem CID 19757605) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-benzyl-N-(1-oxopropan-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-oxopropan-2-yl)acetamide
PubChem CID19757605
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-benzyl-N-(1-oxopropan-2-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1)C(C)C=O
InChIInChI=1S/C12H15NO2/c1-10(9-14)13(11(2)15)8-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyVNPDSMOEDXRMKI-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
N-benzyl-N-[methoxy(phenyl)methyl]acetamide
CID 102127516
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
benzyl(butan-2-yl)carbamic acid
CID 18954164
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide
CID 140734065
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
(2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]propanal
CID 101191721

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-oxopropan-2-yl)acetamide?
The IUPAC name of N-benzyl-N-(1-oxopropan-2-yl)acetamide (CID 19757605) is N-benzyl-N-(1-oxopropan-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(1-oxopropan-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-(1-oxopropan-2-yl)acetamide is CC(=O)N(Cc1ccccc1)C(C)C=O.
What is the InChIKey of N-benzyl-N-(1-oxopropan-2-yl)acetamide?
The InChIKey is VNPDSMOEDXRMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(9-14)13(11(2)15)8-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of N-benzyl-N-(1-oxopropan-2-yl)acetamide?
N-benzyl-N-(1-oxopropan-2-yl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-oxopropan-2-yl)acetamide is sourced from PubChem (CID 19757605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).