2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide

C17H20N2O3 — CID 133148522

IUPAC2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(Cc1ccccc1)C(C)C(=O)NCc1ccco1
InChIInChI=1S/C17H20N2O3/c1-13(17(21)18-11-16-9-6-10-22-16)19(14(2)20)12-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,18,21)
InChIKeyLJUIDOALFNVXNR-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.33
Rot. Bonds6

About 2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide

2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 133148522) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
PubChem CID133148522
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(Cc1ccccc1)C(C)C(=O)NCc1ccco1
InChIInChI=1S/C17H20N2O3/c1-13(17(21)18-11-16-9-6-10-22-16)19(14(2)20)12-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,18,21)
InChIKeyLJUIDOALFNVXNR-UHFFFAOYSA-N
XLogP2.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133214091
2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 133149624
N-[(4-fluorophenyl)methyl]-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]butanamide
CID 133213036
2-[(2-aminophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)propanamide
CID 43458642
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109097118
(2R)-2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 125047334
2-[2-aminoethyl(methyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61348725
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
N-[2-[benzyl-[(1R)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25316249
N-benzyl-2-[benzyl(propanoyl)amino]propanamide
CID 133148772
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide (CID 133148522) is 2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide is CC(=O)N(Cc1ccccc1)C(C)C(=O)NCc1ccco1.
What is the InChIKey of 2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is LJUIDOALFNVXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13(17(21)18-11-16-9-6-10-22-16)19(14(2)20)12-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,18,21).
What are the key properties of 2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide?
2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 300.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 133148522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).