N-benzyl-N-propan-2-ylacetamide

C12H17NO — CID 23534449

IUPACN-benzyl-N-propan-2-ylacetamide
SMILESCC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C12H17NO/c1-10(2)13(11(3)14)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyDAZBCGHNESDFFY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.44
Rot. Bonds3

About N-benzyl-N-propan-2-ylacetamide

N-benzyl-N-propan-2-ylacetamide (PubChem CID 23534449) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-benzyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-ylacetamide
PubChem CID23534449
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-benzyl-N-propan-2-ylacetamide
SMILESCC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C12H17NO/c1-10(2)13(11(3)14)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyDAZBCGHNESDFFY-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-N-propan-2-ylacetamide (CID 23534449) is N-benzyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-N-propan-2-ylacetamide is CC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-N-propan-2-ylacetamide?
The InChIKey is DAZBCGHNESDFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(2)13(11(3)14)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3.
What are the key properties of N-benzyl-N-propan-2-ylacetamide?
N-benzyl-N-propan-2-ylacetamide has a molecular weight of 191.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-ylacetamide is sourced from PubChem (CID 23534449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).