N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C14H18N2O3 — CID 110763786

IUPACN-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H18N2O3/c1-3-4-7-16(2)14(18)10-5-6-12-11(8-10)15-13(17)9-19-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyJOYVCXIDPWAMOA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.89
Rot. Bonds4

About N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 110763786) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID110763786
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H18N2O3/c1-3-4-7-16(2)14(18)10-5-6-12-11(8-10)15-13(17)9-19-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyJOYVCXIDPWAMOA-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]propanoic acid
CID 60989417
N-[3-[3-fluoropropanoyl(methyl)amino]propyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 166370616
butyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate
CID 112724842
N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 78843937
N-[(3-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17403166
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17463334
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide
CID 29373690
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548269
N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 51101453
6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
CID 68979581
6-[2-(hydroxymethyl)butanoyl]-4H-1,4-benzoxazin-3-one
CID 116923075
6-(4,4-dimethylpentanoyl)-4H-1,4-benzoxazin-3-one
CID 114212567

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 110763786) is N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CCCCN(C)C(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is JOYVCXIDPWAMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-4-7-16(2)14(18)10-5-6-12-11(8-10)15-13(17)9-19-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 110763786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).