N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C15H20N2O3 — CID 115612739

IUPACN-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C15H20N2O3/c1-3-10(4-2)8-16-15(19)11-5-6-12-13(7-11)20-9-14(18)17-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyQCNKBWCDYRORSF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.18
Rot. Bonds5

About N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 115612739) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID115612739
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C15H20N2O3/c1-3-10(4-2)8-16-15(19)11-5-6-12-13(7-11)20-9-14(18)17-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyQCNKBWCDYRORSF-UHFFFAOYSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]methyl]pentanoic acid
CID 119253573
N-(1-hydroxybutan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418065
N-[(2S)-4-methyl-2-pyrrolidin-1-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 95155914
N-(1-hydroxypropan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418628
N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 30751721
N-[(1-hydroxycyclobutyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115643325
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
CID 61343515
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide
CID 29373690
N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120655100
N-(3-amino-2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 119998216
N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110746360
(2S)-4-methyl-2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pentanoic acid
CID 119361799

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 115612739) is N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CCC(CC)CNC(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is QCNKBWCDYRORSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-10(4-2)8-16-15(19)11-5-6-12-13(7-11)20-9-14(18)17-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 115612739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).