3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide

C15H20N2O3 — CID 139335039

IUPAC3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(=O)C(C)N(C=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(2)16-15(20)14(19)12(3)17(10-18)9-13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H,16,20)
InChIKeyDMKUETLKMCNHMM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.13
Rot. Bonds7

About 3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide

3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide (PubChem CID 139335039) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide
PubChem CID139335039
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(=O)C(C)N(C=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(2)16-15(20)14(19)12(3)17(10-18)9-13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H,16,20)
InChIKeyDMKUETLKMCNHMM-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
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]-N,4-dimethyl-2-oxopentanamide
CID 139329226
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
CID 10894260
CID 10894260
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-[(2R)-1-(benzenesulfinyl)propan-2-yl]-N-benzylformamide
CID 10518414
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
N-(2-hydroxyphenyl)-N'-propan-2-yloxamide
CID 108503255
2-[benzyl(formyl)amino]-2-cyclohexylacetic acid
CID 18954405
N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132649959
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide?
The IUPAC name of 3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide (CID 139335039) is 3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide?
The canonical SMILES for 3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide is CC(C)NC(=O)C(=O)C(C)N(C=O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide?
The InChIKey is DMKUETLKMCNHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(2)16-15(20)14(19)12(3)17(10-18)9-13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H,16,20).
What are the key properties of 3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide?
3-[benzyl(formyl)amino]-2-oxo-N-propan-2-ylbutanamide has a molecular weight of 276.34 g/mol, XLogP of 1.13, 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]-2-oxo-N-propan-2-ylbutanamide is sourced from PubChem (CID 139335039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).