N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H19N3O4 — CID 17453590

IUPACN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)oc3ccccc32)ccc1N1CCCC1=O
InChIInChI=1S/C20H19N3O4/c1-13-11-14(8-9-15(13)22-10-4-7-19(22)25)21-18(24)12-23-16-5-2-3-6-17(16)27-20(23)26/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,24)
InChIKeyDILSWMTXTBGUOI-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.67
Rot. Bonds4

About N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 17453590) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID17453590
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)oc3ccccc32)ccc1N1CCCC1=O
InChIInChI=1S/C20H19N3O4/c1-13-11-14(8-9-15(13)22-10-4-7-19(22)25)21-18(24)12-23-16-5-2-3-6-17(16)27-20(23)26/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,24)
InChIKeyDILSWMTXTBGUOI-UHFFFAOYSA-N
XLogP2.67
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzofuran-3-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2961461
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17436801
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923
2,2-dimethyl-N-[3-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropyl]propanamide
CID 18155158
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1293188
5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 43347098
2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17495957
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 18886697
[2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 7686604
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 17453590) is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2c(=O)oc3ccccc32)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is DILSWMTXTBGUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-11-14(8-9-15(13)22-10-4-7-19(22)25)21-18(24)12-23-16-5-2-3-6-17(16)27-20(23)26/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,24).
What are the key properties of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 365.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 17453590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).