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

C20H24N2O5 — CID 102536846

IUPAC3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(N)C2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H24N2O5/c1-24-14-7-5-12(9-16(14)26-3)11-22-19(18(21)20(22)23)13-6-8-15(25-2)17(10-13)27-4/h5-10,18-19H,11,21H2,1-4H3
InChIKeyKJJDYJHIWZQYRS-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.13
Rot. Bonds7

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

3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one (PubChem CID 102536846) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
PubChem CID102536846
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(N)C2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H24N2O5/c1-24-14-7-5-12(9-16(14)26-3)11-22-19(18(21)20(22)23)13-6-8-15(25-2)17(10-13)27-4/h5-10,18-19H,11,21H2,1-4H3
InChIKeyKJJDYJHIWZQYRS-UHFFFAOYSA-N
XLogP2.13
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one
CID 124503237
3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(furan-2-yl)azetidin-2-one
CID 70575146
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(5-methylfuran-2-yl)azetidin-2-one
CID 124503214
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
(3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 124503279
3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 102537030
(3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 124504026
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503855
(3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 124503912
3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 102537109

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one?
The IUPAC name of 3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one (CID 102536846) is 3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one.
What is the SMILES notation for 3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one?
The canonical SMILES for 3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one is COc1ccc(CN2C(=O)C(N)C2c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one?
The InChIKey is KJJDYJHIWZQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-24-14-7-5-12(9-16(14)26-3)11-22-19(18(21)20(22)23)13-6-8-15(25-2)17(10-13)27-4/h5-10,18-19H,11,21H2,1-4H3.
What are the key properties of 3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one?
3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one has a molecular weight of 372.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one is sourced from PubChem (CID 102536846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).