3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one

C17H21NO2 — CID 46231452

IUPAC3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one
SMILESCC(C)N(CCC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C17H21NO2/c1-14(2)18(13-15-7-4-3-5-8-15)11-10-16(19)17-9-6-12-20-17/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyKLFCVWOEQRFJRE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.76
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one

3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one (PubChem CID 46231452) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one
PubChem CID46231452
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one
SMILESCC(C)N(CCC(=O)c1ccco1)Cc1ccccc1
InChIInChI=1S/C17H21NO2/c1-14(2)18(13-15-7-4-3-5-8-15)11-10-16(19)17-9-6-12-20-17/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyKLFCVWOEQRFJRE-UHFFFAOYSA-N
XLogP3.76
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one (CID 46231452) is 3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one is CC(C)N(CCC(=O)c1ccco1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one?
The InChIKey is KLFCVWOEQRFJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-14(2)18(13-15-7-4-3-5-8-15)11-10-16(19)17-9-6-12-20-17/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one?
3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one has a molecular weight of 271.36 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 46231452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).