N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide

C16H17NO3 — CID 110389834

IUPACN-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide
SMILESCN(Cc1ccccc1)C(=O)CCC(=O)c1ccco1
InChIInChI=1S/C16H17NO3/c1-17(12-13-6-3-2-4-7-13)16(19)10-9-14(18)15-8-5-11-20-15/h2-8,11H,9-10,12H2,1H3
InChIKeyMBFRNLJYGGTQKK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.90
Rot. Bonds6

About N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide

N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide (PubChem CID 110389834) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide
PubChem CID110389834
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide
SMILESCN(Cc1ccccc1)C(=O)CCC(=O)c1ccco1
InChIInChI=1S/C16H17NO3/c1-17(12-13-6-3-2-4-7-13)16(19)10-9-14(18)15-8-5-11-20-15/h2-8,11H,9-10,12H2,1H3
InChIKeyMBFRNLJYGGTQKK-UHFFFAOYSA-N
XLogP2.90
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methylpentanamide
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furan-2-carbonyl(methyl)carbamic acid;hydrochloride
CID 70634147
N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
CID 923050
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide
CID 112761055
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-benzyl-N-methyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342924
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
N,N-dibenzylfuran-2-carboxamide
CID 762503

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide?
The IUPAC name of N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide (CID 110389834) is N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide is CN(Cc1ccccc1)C(=O)CCC(=O)c1ccco1.
What is the InChIKey of N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide?
The InChIKey is MBFRNLJYGGTQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-17(12-13-6-3-2-4-7-13)16(19)10-9-14(18)15-8-5-11-20-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide?
N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide has a molecular weight of 271.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 110389834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).