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

C17H21NO2 — CID 70926690

IUPAC1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one
SMILESCC(C)C(NCCC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-13(2)17(14-7-4-3-5-8-14)18-11-10-15(19)16-9-6-12-20-16/h3-9,12-13,17-18H,10-11H2,1-2H3
InChIKeyBFQHVDJMKRTGSG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.84
Rot. Bonds7

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

1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one (PubChem CID 70926690) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one
PubChem CID70926690
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one
SMILESCC(C)C(NCCC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-13(2)17(14-7-4-3-5-8-14)18-11-10-15(19)16-9-6-12-20-16/h3-9,12-13,17-18H,10-11H2,1-2H3
InChIKeyBFQHVDJMKRTGSG-UHFFFAOYSA-N
XLogP3.84
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one
CID 70926976
N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115605278
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
methane;2-methyl-1-phenyl-N-(2-phenylethyl)propan-1-amine
CID 70638594
1-(furan-2-yl)-3-[(2-hydroxy-3,3-dimethylbutyl)amino]propan-1-one
CID 70926804
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
N-(1,1-diphenylpropan-2-yl)furan-2-carboxamide
CID 46432017
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
1-(furan-2-yl)undecan-1-one
CID 15721327
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
CID 165467897

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one?
The IUPAC name of 1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one (CID 70926690) is 1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one is CC(C)C(NCCC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of 1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one?
The InChIKey is BFQHVDJMKRTGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(2)17(14-7-4-3-5-8-14)18-11-10-15(19)16-9-6-12-20-16/h3-9,12-13,17-18H,10-11H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one?
1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one has a molecular weight of 271.36 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one is sourced from PubChem (CID 70926690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).