N-benzyl-3-oxopentanamide

C12H15NO2 — CID 10632061

IUPACN-benzyl-3-oxopentanamide
SMILESCCC(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-11(14)8-12(15)13-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKeyRVPVVAPHVFMTOL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.67
Rot. Bonds5

About N-benzyl-3-oxopentanamide

N-benzyl-3-oxopentanamide (PubChem CID 10632061) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-benzyl-3-oxopentanamide.

Molecular Properties

Compound NameN-benzyl-3-oxopentanamide
PubChem CID10632061
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-benzyl-3-oxopentanamide
SMILESCCC(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-11(14)8-12(15)13-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15)
InChIKeyRVPVVAPHVFMTOL-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-propylpropanediamide
CID 108940601
N-benzyl-2-(diethylamino)acetamide
CID 969777
(3R)-N-benzyl-3-hydroxypentanamide
CID 130658384
N-benzylundecanamide
CID 5078198
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
N-benzylacetamide;ethanamine
CID 22257034
N-benzyl-3-chloropropanamide
CID 10391
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzyl-N'-butyl-N'-methylpropanediamide
CID 108945252
N-benzyl-4,4-difluorobutanamide
CID 132965820
N-benzyl-2-(methoxyamino)acetamide
CID 60702706

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-oxopentanamide?
The IUPAC name of N-benzyl-3-oxopentanamide (CID 10632061) is N-benzyl-3-oxopentanamide.
What is the SMILES notation for N-benzyl-3-oxopentanamide?
The canonical SMILES for N-benzyl-3-oxopentanamide is CCC(=O)CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-oxopentanamide?
The InChIKey is RVPVVAPHVFMTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-11(14)8-12(15)13-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,15).
What are the key properties of N-benzyl-3-oxopentanamide?
N-benzyl-3-oxopentanamide has a molecular weight of 205.26 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-oxopentanamide is sourced from PubChem (CID 10632061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).