N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C14H18N2O3 — CID 110701561

IUPACN-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC(C)CCNC(=O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C14H18N2O3/c1-9(2)6-7-15-14(18)10-4-3-5-11-13(10)19-8-12(17)16-11/h3-5,9H,6-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZRECOVCUBHIDGU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.79
Rot. Bonds4

About N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701561) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701561
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC(C)CCNC(=O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C14H18N2O3/c1-9(2)6-7-15-14(18)10-4-3-5-11-13(10)19-8-12(17)16-11/h3-5,9H,6-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZRECOVCUBHIDGU-UHFFFAOYSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-propyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701487
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699703
N-(2-benzylsulfanylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 75369661
4-[[(3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]methyl]benzoic acid
CID 119353511
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701565
N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701635
N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 97338612
N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701633
N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701603
N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119499696
8-ethyl-4H-1,4-benzoxazin-3-one
CID 68908542

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 110701561) is N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is CC(C)CCNC(=O)c1cccc2c1OCC(=O)N2.
What is the InChIKey of N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is ZRECOVCUBHIDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)6-7-15-14(18)10-4-3-5-11-13(10)19-8-12(17)16-11/h3-5,9H,6-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).