3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide

C15H20N2O3 — CID 29373690

IUPAC3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C15H20N2O3/c1-3-7-17(8-4-2)15(19)11-5-6-12-13(9-11)20-10-14(18)16-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyIOHNQMYILKZYRM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.28
Rot. Bonds5

About 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide

3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 29373690) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide
PubChem CID29373690
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C15H20N2O3/c1-3-7-17(8-4-2)15(19)11-5-6-12-13(9-11)20-10-14(18)16-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyIOHNQMYILKZYRM-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoic acid
CID 61006659
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 79290683
N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115612739
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763786
N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 50966571
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701565
N-(1-hydroxybutan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418065
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
CID 61343515
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 37429056
7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 3087782
3-[methyl-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]propanoic acid
CID 60989417

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide (CID 29373690) is 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide is CCCN(CCC)C(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is IOHNQMYILKZYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-7-17(8-4-2)15(19)11-5-6-12-13(9-11)20-10-14(18)16-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide?
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 29373690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).