ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate

C14H16N2O5 — CID 61343515

IUPACethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C14H16N2O5/c1-3-20-14(19)8(2)15-13(18)9-4-5-10-11(6-9)21-7-12(17)16-10/h4-6,8H,3,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZLCIANQNVWXBKG-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.70
Rot. Bonds4

About ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate

ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate (PubChem CID 61343515) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
PubChem CID61343515
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Nameethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C14H16N2O5/c1-3-20-14(19)8(2)15-13(18)9-4-5-10-11(6-9)21-7-12(17)16-10/h4-6,8H,3,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZLCIANQNVWXBKG-UHFFFAOYSA-N
XLogP0.70
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypropan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418628
N-(1-hydroxybutan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418065
(2S)-4-methyl-2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pentanoic acid
CID 119361799
N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115612739
propan-2-yl 3-(4-methylphenyl)-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
CID 55440083
ethyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)propanoate
CID 61342767
N-[1-(4-tert-butylphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 134043362
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 39968289
3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide
CID 55959074
ethyl 3-[(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-phenylpropanoate
CID 48587688
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide
CID 29373690
(3R)-3-(4-fluorophenyl)-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoic acid
CID 125147633

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate (CID 61343515) is ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate?
The InChIKey is ZLCIANQNVWXBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-3-20-14(19)8(2)15-13(18)9-4-5-10-11(6-9)21-7-12(17)16-10/h4-6,8H,3,7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate?
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate has a molecular weight of 292.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate is sourced from PubChem (CID 61343515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).