N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

C13H17N3O3 — CID 103101996

IUPACN-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1cccc2c1OCCN2
InChIInChI=1S/C13H17N3O3/c1-2-16(8-11(14)17)13(18)9-4-3-5-10-12(9)19-7-6-15-10/h3-5,15H,2,6-8H2,1H3,(H2,14,17)
InChIKeyZTQNLGZIKUFQNZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.44
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (PubChem CID 103101996) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
PubChem CID103101996
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1cccc2c1OCCN2
InChIInChI=1S/C13H17N3O3/c1-2-16(8-11(14)17)13(18)9-4-3-5-10-12(9)19-7-6-15-10/h3-5,15H,2,6-8H2,1H3,(H2,14,17)
InChIKeyZTQNLGZIKUFQNZ-UHFFFAOYSA-N
XLogP0.44
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
N-(2-hydroxycyclohexyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 102632018
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
8-methyl-3,4-dihydro-2H-1,4-benzoxazine;propanoate
CID 86664801
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849738
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114332154
3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone
CID 102652618
3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone
CID 116610704
1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2-(4-iodophenyl)ethanone
CID 116610685
N-ethyl-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614558
N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106104945

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (CID 103101996) is N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is CCN(CC(N)=O)C(=O)c1cccc2c1OCCN2.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The InChIKey is ZTQNLGZIKUFQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-16(8-11(14)17)13(18)9-4-3-5-10-12(9)19-7-6-15-10/h3-5,15H,2,6-8H2,1H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 103101996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).