N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide

C25H28N2O3 — CID 133214091

IUPACN-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)C(Cc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C25H28N2O3/c1-19(2)25(29)27(18-21-12-7-4-8-13-21)23(16-20-10-5-3-6-11-20)24(28)26-17-22-14-9-15-30-22/h3-15,19,23H,16-18H2,1-2H3,(H,26,28)
InChIKeyHMXOIFZHEQOZLB-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.19
Rot. Bonds9

About N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide

N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide (PubChem CID 133214091) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
PubChem CID133214091
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)C(Cc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C25H28N2O3/c1-19(2)25(29)27(18-21-12-7-4-8-13-21)23(16-20-10-5-3-6-11-20)24(28)26-17-22-14-9-15-30-22/h3-15,19,23H,16-18H2,1-2H3,(H,26,28)
InChIKeyHMXOIFZHEQOZLB-UHFFFAOYSA-N
XLogP4.19
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 133148522
N-[(4-chlorophenyl)methyl]-2-methyl-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 133214590
N-[(4-fluorophenyl)methyl]-N-[1-[(2-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133215138
N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 133214755
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109097118
2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide
CID 43458642
N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133236582
N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316249
N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 107025115
N-benzyl-2-methyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]propanamide
CID 133148930
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2-[benzyl-[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 133213794

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide (CID 133214091) is N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide is CC(C)C(=O)N(Cc1ccccc1)C(Cc1ccccc1)C(=O)NCc1ccco1.
What is the InChIKey of N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide?
The InChIKey is HMXOIFZHEQOZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-19(2)25(29)27(18-21-12-7-4-8-13-21)23(16-20-10-5-3-6-11-20)24(28)26-17-22-14-9-15-30-22/h3-15,19,23H,16-18H2,1-2H3,(H,26,28).
What are the key properties of N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide?
N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide has a molecular weight of 404.51 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 133214091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).