2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone

C17H19NO2 — CID 62030869

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(Cc2ccco2)C2CC2)cc1
InChIInChI=1S/C17H19NO2/c1-13-4-6-14(7-5-13)17(19)12-18(15-8-9-15)11-16-3-2-10-20-16/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyVKQLHJPUHYQENR-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.44
Rot. Bonds6

About 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone

2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone (PubChem CID 62030869) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
PubChem CID62030869
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(Cc2ccco2)C2CC2)cc1
InChIInChI=1S/C17H19NO2/c1-13-4-6-14(7-5-13)17(19)12-18(15-8-9-15)11-16-3-2-10-20-16/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyVKQLHJPUHYQENR-UHFFFAOYSA-N
XLogP3.44
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62030109
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
CID 62029916
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62030108
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
CID 55001981
2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795012
3-[ethyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613649
N-benzyl-2-[cyclopropyl(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 34218809
1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 62028966
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
CID 34217695
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 62031445

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone (CID 62030869) is 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CN(Cc2ccco2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone?
The InChIKey is VKQLHJPUHYQENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-4-6-14(7-5-13)17(19)12-18(15-8-9-15)11-16-3-2-10-20-16/h2-7,10,15H,8-9,11-12H2,1H3.
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone?
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone has a molecular weight of 269.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 62030869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).