1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one

C16H19NO4 — CID 82101102

IUPAC1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one
SMILESCOc1ccc(OC)c(C(=O)C(C)NCc2ccco2)c1
InChIInChI=1S/C16H19NO4/c1-11(17-10-13-5-4-8-21-13)16(18)14-9-12(19-2)6-7-15(14)20-3/h4-9,11,17H,10H2,1-3H3
InChIKeyPDUZILQEDNVYDV-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.66
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one

1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one (PubChem CID 82101102) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one
PubChem CID82101102
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one
SMILESCOc1ccc(OC)c(C(=O)C(C)NCc2ccco2)c1
InChIInChI=1S/C16H19NO4/c1-11(17-10-13-5-4-8-21-13)16(18)14-9-12(19-2)6-7-15(14)20-3/h4-9,11,17H,10H2,1-3H3
InChIKeyPDUZILQEDNVYDV-UHFFFAOYSA-N
XLogP2.66
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)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

Related Compounds

1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
CID 105098345
2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100877
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one
CID 82101101
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 104707302
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281
(2S)-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 110348354
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 167977484
methyl N-[(2S)-1-(2,5-dimethoxyphenyl)-1-oxopropan-2-yl]carbamoperoxoate
CID 141070388
methyl 3-(2,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 112508924

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one (CID 82101102) is 1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one is COc1ccc(OC)c(C(=O)C(C)NCc2ccco2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one?
The InChIKey is PDUZILQEDNVYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(17-10-13-5-4-8-21-13)16(18)14-9-12(19-2)6-7-15(14)20-3/h4-9,11,17H,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one?
1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one has a molecular weight of 289.33 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)propan-1-one is sourced from PubChem (CID 82101102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).