3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one

C16H18N2O4 — CID 70575146

IUPAC3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(N)C2c2ccco2)cc1OC
InChIInChI=1S/C16H18N2O4/c1-20-11-6-5-10(8-13(11)21-2)9-18-15(14(17)16(18)19)12-4-3-7-22-12/h3-8,14-15H,9,17H2,1-2H3
InChIKeyFRSNDYLJWQTRKO-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.71
Rot. Bonds5

About 3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one

3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one (PubChem CID 70575146) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one
PubChem CID70575146
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(N)C2c2ccco2)cc1OC
InChIInChI=1S/C16H18N2O4/c1-20-11-6-5-10(8-13(11)21-2)9-18-15(14(17)16(18)19)12-4-3-7-22-12/h3-8,14-15H,9,17H2,1-2H3
InChIKeyFRSNDYLJWQTRKO-UHFFFAOYSA-N
XLogP1.71
TPSA77.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one
CID 124503214
3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 102536846
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one
CID 124503237
(3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 124503191
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 124503193
(3,4-dimethoxyphenyl)methyl 6-(furan-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 71653056
methyl (3S,4S)-2-(furan-2-yl)-4-hydroxy-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 2754063
methyl (2R,3S,4S)-2-(furan-2-yl)-4-hydroxy-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 51418122
2-[(3,4-dimethoxyphenyl)methyl]furan
CID 71735507
2-(3,4-dimethoxyphenyl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 20895626
5-amino-3-[(3,4-dimethoxyphenyl)methyl]-8-(furan-2-yl)-1-methyl-3aH-purino[7,8-b][1,2,4]triazol-2-one
CID 86696640
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one?
The IUPAC name of 3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one (CID 70575146) is 3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one?
The canonical SMILES for 3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one is COc1ccc(CN2C(=O)C(N)C2c2ccco2)cc1OC.
What is the InChIKey of 3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one?
The InChIKey is FRSNDYLJWQTRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-20-11-6-5-10(8-13(11)21-2)9-18-15(14(17)16(18)19)12-4-3-7-22-12/h3-8,14-15H,9,17H2,1-2H3.
What are the key properties of 3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one?
3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one has a molecular weight of 302.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one is sourced from PubChem (CID 70575146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).