N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C21H21N3O4 — CID 9147970

IUPACN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC[C@@H]1Oc2ccc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)cc2NC1=O
InChIInChI=1S/C21H21N3O4/c1-13-21(27)23-17-12-15(6-9-18(17)28-13)22-19(25)11-14-4-7-16(8-5-14)24-10-2-3-20(24)26/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,25)(H,23,27)/t13-/m0/s1
InChIKeyJNZTWVXWXBVQSF-ZDUSSCGKSA-N
MW379.42 g/mol
LogP2.71
Rot. Bonds4

About N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 9147970) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID9147970
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESC[C@@H]1Oc2ccc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)cc2NC1=O
InChIInChI=1S/C21H21N3O4/c1-13-21(27)23-17-12-15(6-9-18(17)28-13)22-19(25)11-14-4-7-16(8-5-14)24-10-2-3-20(24)26/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,25)(H,23,27)/t13-/m0/s1
InChIKeyJNZTWVXWXBVQSF-ZDUSSCGKSA-N
XLogP2.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9148031
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9145083
4-chloro-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9147336
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9303488
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 99170180
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288220
N-(4-methyl-3-nitrophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36662997

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 9147970) is N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is C[C@@H]1Oc2ccc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)cc2NC1=O.
What is the InChIKey of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is JNZTWVXWXBVQSF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-21(27)23-17-12-15(6-9-18(17)28-13)22-19(25)11-14-4-7-16(8-5-14)24-10-2-3-20(24)26/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,25)(H,23,27)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 9147970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).