3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide

C22H26N2O4 — CID 86936136

IUPAC3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
SMILESCOc1cc(C)ccc1OCCC(=O)N(C)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C22H26N2O4/c1-16-9-10-19(20(15-16)27-3)28-14-12-21(25)23(2)18-11-13-24(22(18)26)17-7-5-4-6-8-17/h4-10,15,18H,11-14H2,1-3H3
InChIKeyTWODNDIEVGJZRG-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.04
Rot. Bonds7

About 3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide

3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide (PubChem CID 86936136) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
PubChem CID86936136
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
SMILESCOc1cc(C)ccc1OCCC(=O)N(C)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C22H26N2O4/c1-16-9-10-19(20(15-16)27-3)28-14-12-21(25)23(2)18-11-13-24(22(18)26)17-7-5-4-6-8-17/h4-10,15,18H,11-14H2,1-3H3
InChIKeyTWODNDIEVGJZRG-UHFFFAOYSA-N
XLogP3.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide
CID 119776437
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776473
3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 120611677
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119776472
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119792209
3-ethoxy-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524772
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
CID 119792208

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide (CID 86936136) is 3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide is COc1cc(C)ccc1OCCC(=O)N(C)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The InChIKey is TWODNDIEVGJZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-16-9-10-19(20(15-16)27-3)28-14-12-21(25)23(2)18-11-13-24(22(18)26)17-7-5-4-6-8-17/h4-10,15,18H,11-14H2,1-3H3.
What are the key properties of 3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide?
3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-methylphenoxy)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 86936136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).