4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C21H23N3O3 — CID 131927684

IUPAC4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1cc(NC(=O)C2CN(C)c3ccccc3O2)ccc1N1CCCC1=O
InChIInChI=1S/C21H23N3O3/c1-14-12-15(9-10-16(14)24-11-5-8-20(24)25)22-21(26)19-13-23(2)17-6-3-4-7-18(17)27-19/h3-4,6-7,9-10,12,19H,5,8,11,13H2,1-2H3,(H,22,26)
InChIKeyIUIQXYPOYDMOGN-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.96
Rot. Bonds3

About 4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 131927684) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID131927684
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1cc(NC(=O)C2CN(C)c3ccccc3O2)ccc1N1CCCC1=O
InChIInChI=1S/C21H23N3O3/c1-14-12-15(9-10-16(14)24-11-5-8-20(24)25)22-21(26)19-13-23(2)17-6-3-4-7-18(17)27-19/h3-4,6-7,9-10,12,19H,5,8,11,13H2,1-2H3,(H,22,26)
InChIKeyIUIQXYPOYDMOGN-UHFFFAOYSA-N
XLogP2.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

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Related Compounds

N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60711549
phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
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N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18289629
2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
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N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584403
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 51982092
(2R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51465606
N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 131927684) is 4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is Cc1cc(NC(=O)C2CN(C)c3ccccc3O2)ccc1N1CCCC1=O.
What is the InChIKey of 4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is IUIQXYPOYDMOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-12-15(9-10-16(14)24-11-5-8-20(24)25)22-21(26)19-13-23(2)17-6-3-4-7-18(17)27-19/h3-4,6-7,9-10,12,19H,5,8,11,13H2,1-2H3,(H,22,26).
What are the key properties of 4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 131927684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).