N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide

C20H19N3O4 — CID 9148031

IUPACN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESC[C@H]1Oc2ccc(NC(=O)c3ccccc3N3CCCC3=O)cc2NC1=O
InChIInChI=1S/C20H19N3O4/c1-12-19(25)22-15-11-13(8-9-17(15)27-12)21-20(26)14-5-2-3-6-16(14)23-10-4-7-18(23)24/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,21,26)(H,22,25)/t12-/m1/s1
InChIKeyDEBQXAZXSZXKEM-GFCCVEGCSA-N
MW365.39 g/mol
LogP2.79
Rot. Bonds3

About N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9148031) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9148031
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESC[C@H]1Oc2ccc(NC(=O)c3ccccc3N3CCCC3=O)cc2NC1=O
InChIInChI=1S/C20H19N3O4/c1-12-19(25)22-15-11-13(8-9-17(15)27-12)21-20(26)14-5-2-3-6-16(14)23-10-4-7-18(23)24/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,21,26)(H,22,25)/t12-/m1/s1
InChIKeyDEBQXAZXSZXKEM-GFCCVEGCSA-N
XLogP2.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9147336
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9147970
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-1-carboxamide
CID 41096038
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927653
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9139011
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 30807726
2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
CID 34463676
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-propoxybenzamide
CID 35574928
3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145079

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 9148031) is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide is C[C@H]1Oc2ccc(NC(=O)c3ccccc3N3CCCC3=O)cc2NC1=O.
What is the InChIKey of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is DEBQXAZXSZXKEM-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-19(25)22-15-11-13(8-9-17(15)27-12)21-20(26)14-5-2-3-6-16(14)23-10-4-7-18(23)24/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,21,26)(H,22,25)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide?
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 365.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9148031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).