3-[[furan-2-yl(phenyl)methyl]amino]butanamide

C15H18N2O2 — CID 115573315

IUPAC3-[[furan-2-yl(phenyl)methyl]amino]butanamide
SMILESCC(CC(N)=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C15H18N2O2/c1-11(10-14(16)18)17-15(13-8-5-9-19-13)12-6-3-2-4-7-12/h2-9,11,15,17H,10H2,1H3,(H2,16,18)
InChIKeyCYQNEPIAGNIMSM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.22
Rot. Bonds6

About 3-[[furan-2-yl(phenyl)methyl]amino]butanamide

3-[[furan-2-yl(phenyl)methyl]amino]butanamide (PubChem CID 115573315) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[[furan-2-yl(phenyl)methyl]amino]butanamide.

Molecular Properties

Compound Name3-[[furan-2-yl(phenyl)methyl]amino]butanamide
PubChem CID115573315
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[[furan-2-yl(phenyl)methyl]amino]butanamide
SMILESCC(CC(N)=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C15H18N2O2/c1-11(10-14(16)18)17-15(13-8-5-9-19-13)12-6-3-2-4-7-12/h2-9,11,15,17H,10H2,1H3,(H2,16,18)
InChIKeyCYQNEPIAGNIMSM-UHFFFAOYSA-N
XLogP2.22
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629529
(2R)-N-carbamoyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755898
[furan-2-yl(phenyl)methyl]urea
CID 14906081
1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine
CID 115707858
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
CID 65055569
N-[furan-2-yl(phenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43692754
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
(2S)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
CID 61180250
(2R)-2-amino-N-[furan-2-yl(phenyl)methyl]-4-methylpentanamide
CID 104902855

Frequently Asked Questions

What is the IUPAC name of 3-[[furan-2-yl(phenyl)methyl]amino]butanamide?
The IUPAC name of 3-[[furan-2-yl(phenyl)methyl]amino]butanamide (CID 115573315) is 3-[[furan-2-yl(phenyl)methyl]amino]butanamide.
What is the SMILES notation for 3-[[furan-2-yl(phenyl)methyl]amino]butanamide?
The canonical SMILES for 3-[[furan-2-yl(phenyl)methyl]amino]butanamide is CC(CC(N)=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 3-[[furan-2-yl(phenyl)methyl]amino]butanamide?
The InChIKey is CYQNEPIAGNIMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(10-14(16)18)17-15(13-8-5-9-19-13)12-6-3-2-4-7-12/h2-9,11,15,17H,10H2,1H3,(H2,16,18).
What are the key properties of 3-[[furan-2-yl(phenyl)methyl]amino]butanamide?
3-[[furan-2-yl(phenyl)methyl]amino]butanamide has a molecular weight of 258.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[furan-2-yl(phenyl)methyl]amino]butanamide is sourced from PubChem (CID 115573315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).