N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide

C16H22N2O4 — CID 1495599

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide
SMILESCOc1cccc(CNC(=O)C(C)(C)N2CCC2=O)c1OC
InChIInChI=1S/C16H22N2O4/c1-16(2,18-9-8-13(18)19)15(20)17-10-11-6-5-7-12(21-3)14(11)22-4/h5-7H,8-10H2,1-4H3,(H,17,20)
InChIKeySLCJGJNANRGDDM-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.33
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide

N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide (PubChem CID 1495599) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide
PubChem CID1495599
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide
SMILESCOc1cccc(CNC(=O)C(C)(C)N2CCC2=O)c1OC
InChIInChI=1S/C16H22N2O4/c1-16(2,18-9-8-13(18)19)15(20)17-10-11-6-5-7-12(21-3)14(11)22-4/h5-7H,8-10H2,1-4H3,(H,17,20)
InChIKeySLCJGJNANRGDDM-UHFFFAOYSA-N
XLogP1.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 46590512
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625521
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
(1R)-N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096386
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119281351
N-[(2,3-dimethoxyphenyl)methyl]-1,4-dimethyl-3-(4-methylphenyl)pyrrole-2-carboxamide
CID 66883253
N-[(2,3-dimethoxyphenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738665
(3R)-1-(3-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 52533801
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119281357

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide (CID 1495599) is N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide is COc1cccc(CNC(=O)C(C)(C)N2CCC2=O)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide?
The InChIKey is SLCJGJNANRGDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2,18-9-8-13(18)19)15(20)17-10-11-6-5-7-12(21-3)14(11)22-4/h5-7H,8-10H2,1-4H3,(H,17,20).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide has a molecular weight of 306.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2-(2-oxoazetidin-1-yl)propanamide is sourced from PubChem (CID 1495599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).