2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one

C17H21NO3 — CID 82100877

IUPAC2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(C(=O)C(C)NCc2ccco2)cc1
InChIInChI=1S/C17H21NO3/c1-12(2)21-15-8-6-14(7-9-15)17(19)13(3)18-11-16-5-4-10-20-16/h4-10,12-13,18H,11H2,1-3H3
InChIKeyDLFGUGHPAYGTDM-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.43
Rot. Bonds7

About 2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one

2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one (PubChem CID 82100877) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
PubChem CID82100877
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(C(=O)C(C)NCc2ccco2)cc1
InChIInChI=1S/C17H21NO3/c1-12(2)21-15-8-6-14(7-9-15)17(19)13(3)18-11-16-5-4-10-20-16/h4-10,12-13,18H,11H2,1-3H3
InChIKeyDLFGUGHPAYGTDM-UHFFFAOYSA-N
XLogP3.43
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one
CID 82101102
2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100873
3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097418
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
CID 7382374
2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100899
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one (CID 82100877) is 2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one is CC(C)Oc1ccc(C(=O)C(C)NCc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is DLFGUGHPAYGTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)21-15-8-6-14(7-9-15)17(19)13(3)18-11-16-5-4-10-20-16/h4-10,12-13,18H,11H2,1-3H3.
What are the key properties of 2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one?
2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 287.36 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 82100877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).