N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide

C11H12N2O3 — CID 29082

IUPACN-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide
SMILESCCC(=O)NN1Cc2ccccc2OC1=O
InChIInChI=1S/C11H12N2O3/c1-2-10(14)12-13-7-8-5-3-4-6-9(8)16-11(13)15/h3-6H,2,7H2,1H3,(H,12,14)
InChIKeyURORCGJQVHAPKG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.44
Rot. Bonds2

About N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide

N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide (PubChem CID 29082) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide
PubChem CID29082
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide
SMILESCCC(=O)NN1Cc2ccccc2OC1=O
InChIInChI=1S/C11H12N2O3/c1-2-10(14)12-13-7-8-5-3-4-6-9(8)16-11(13)15/h3-6H,2,7H2,1H3,(H,12,14)
InChIKeyURORCGJQVHAPKG-UHFFFAOYSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Caroxazone
CID 29083
3,4-dihydro-2H-1,3-benzoxazin-2-one
CID 121020
2H-1,3-Benzoxazine-3(4H)-acetamide, 4-methyl-2-oxo-
CID 29084
2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-, ethyl ester
CID 205669
2H-1,3-Benzoxazine-3(4H)-acetamide, N-methyl-2-oxo-
CID 205670
2H-1,3-Benzoxazine-3(4H)-acetamide, N,N-diethyl-2-oxo-
CID 205671
2H-1,3-Benzoxazine-3(4H)-acetic acid, 2-oxo-, hydrazide
CID 205672
2H-1,3-Benzoxazine-3(4H)-acetonitrile, 2-oxo-
CID 205673
2H-1,3-Benzoxazine-3(4H)-acetamide, 4-ethyl-2-oxo-
CID 205675
2H-1,3-Benzoxazine-3(4H)-carboxamide, 2-oxo-
CID 205696
2H-1,3-Benzoxazine-3(4H)-propionic acid, 2-oxo-
CID 209629
4-Ethoxy-3,4-dihydro-1,3-benzoxazin-2-one
CID 335807

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide?
The IUPAC name of N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide (CID 29082) is N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide.
What is the SMILES notation for N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide?
The canonical SMILES for N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide is CCC(=O)NN1Cc2ccccc2OC1=O.
What is the InChIKey of N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide?
The InChIKey is URORCGJQVHAPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-10(14)12-13-7-8-5-3-4-6-9(8)16-11(13)15/h3-6H,2,7H2,1H3,(H,12,14).
What are the key properties of N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide?
N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide has a molecular weight of 220.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-4H-1,3-benzoxazin-3-yl)propanamide is sourced from PubChem (CID 29082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).