3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide

C15H20N2O3 — CID 139329226

IUPAC3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide
SMILESCNC(=O)C(=O)C(C(C)C)N(C=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(2)13(14(19)15(20)16-3)17(10-18)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,16,20)
InChIKeyRBWFSHBIGAGEGG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.98
Rot. Bonds7

About 3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide

3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide (PubChem CID 139329226) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide.

Molecular Properties

Compound Name3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide
PubChem CID139329226
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide
SMILESCNC(=O)C(=O)C(C(C)C)N(C=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(2)13(14(19)15(20)16-3)17(10-18)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,16,20)
InChIKeyRBWFSHBIGAGEGG-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(formyl)amino]-2-oxobutanoic acid
CID 139335016
3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide
CID 139335039
2-[benzyl(propan-2-yl)amino]-3-methylbutanoic acid
CID 20993417
(Z)-3-[benzyl(formyl)amino]-N-methylprop-2-enamide
CID 139378805
CID 10894260
CID 10894260
(4S)-4-(dibenzylamino)-5-methylhexan-3-one
CID 14934525
3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide
CID 134350005
2-[benzyl(formyl)amino]-2-cyclohexylacetic acid
CID 18954405
N-benzyl-N-formyl-N'-methyl-2-phenylpropanediamide
CID 144953927
(2S)-2-[benzyl-[(E)-3-oxoprop-1-enyl]amino]-4-methylpentanoic acid
CID 87531023
benzyl 2-[formyl-[[4-[2-(1-methyltetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-methylbutanoate
CID 59718057
N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide
CID 10518414

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide?
The IUPAC name of 3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide (CID 139329226) is 3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide.
What is the SMILES notation for 3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide?
The canonical SMILES for 3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide is CNC(=O)C(=O)C(C(C)C)N(C=O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide?
The InChIKey is RBWFSHBIGAGEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(2)13(14(19)15(20)16-3)17(10-18)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,16,20).
What are the key properties of 3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide?
3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide has a molecular weight of 276.34 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(formyl)amino]-N,4-dimethyl-2-oxopentanamide is sourced from PubChem (CID 139329226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).