3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide

C15H20N2O3 — CID 110701565

IUPAC3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide
SMILESCCCN(CCC)C(=O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C15H20N2O3/c1-3-8-17(9-4-2)15(19)11-6-5-7-12-14(11)20-10-13(18)16-12/h5-7H,3-4,8-10H2,1-2H3,(H,16,18)
InChIKeyHRWRVVMDTKUYMN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.28
Rot. Bonds5

About 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide

3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701565) 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-8-carboxamide.

Molecular Properties

Compound Name3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701565
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide
SMILESCCCN(CCC)C(=O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C15H20N2O3/c1-3-8-17(9-4-2)15(19)11-6-5-7-12-14(11)20-10-13(18)16-12/h5-7H,3-4,8-10H2,1-2H3,(H,16,18)
InChIKeyHRWRVVMDTKUYMN-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-oxo-N-propyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701487
8-ethyl-4H-1,4-benzoxazin-3-one
CID 68908542
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide
CID 29373690
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701561
3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701488
N-(3-methoxypropyl)-3-oxo-N-pentyl-4H-1,4-benzoxazine-5-carboxamide
CID 126834988
4-[[(3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]methyl]benzoic acid
CID 119353511
8-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 120805444
N-(2-benzylsulfanylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 75369661
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701635
N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701603
N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701633

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide (CID 110701565) is 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide is CCCN(CCC)C(=O)c1cccc2c1OCC(=O)N2.
What is the InChIKey of 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is HRWRVVMDTKUYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-8-17(9-4-2)15(19)11-6-5-7-12-14(11)20-10-13(18)16-12/h5-7H,3-4,8-10H2,1-2H3,(H,16,18).
What are the key properties of 3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide?
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-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-8-carboxamide is sourced from PubChem (CID 110701565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).