3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one

C17H19NO2 — CID 62612099

IUPAC3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
SMILESO=C(CCN(Cc1ccco1)C1CC1)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-17(14-5-2-1-3-6-14)10-11-18(15-8-9-15)13-16-7-4-12-20-16/h1-7,12,15H,8-11,13H2
InChIKeyWVFUNNCWMQVWHG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.52
Rot. Bonds7

About 3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one

3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one (PubChem CID 62612099) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
PubChem CID62612099
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
SMILESO=C(CCN(Cc1ccco1)C1CC1)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-17(14-5-2-1-3-6-14)10-11-18(15-8-9-15)13-16-7-4-12-20-16/h1-7,12,15H,8-11,13H2
InChIKeyWVFUNNCWMQVWHG-UHFFFAOYSA-N
XLogP3.52
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one
CID 62644896
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 55079204
N-benzyl-2-[cyclopropyl(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 34218809
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
CID 63074910
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one (CID 62612099) is 3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one is O=C(CCN(Cc1ccco1)C1CC1)c1ccccc1.
What is the InChIKey of 3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one?
The InChIKey is WVFUNNCWMQVWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(14-5-2-1-3-6-14)10-11-18(15-8-9-15)13-16-7-4-12-20-16/h1-7,12,15H,8-11,13H2.
What are the key properties of 3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one?
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one has a molecular weight of 269.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 62612099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).