N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C14H19N3O3 — CID 119499696

IUPACN-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC(N)CCNC(=O)c1cccc2c1OC(C)C(=O)N2
InChIInChI=1S/C14H19N3O3/c1-8(15)6-7-16-14(19)10-4-3-5-11-12(10)20-9(2)13(18)17-11/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyAGEQNIJASHTVAC-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.87
Rot. Bonds4

About N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 119499696) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID119499696
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCC(N)CCNC(=O)c1cccc2c1OC(C)C(=O)N2
InChIInChI=1S/C14H19N3O3/c1-8(15)6-7-16-14(19)10-4-3-5-11-12(10)20-9(2)13(18)17-11/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyAGEQNIJASHTVAC-UHFFFAOYSA-N
XLogP0.87
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 119499696) is N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is CC(N)CCNC(=O)c1cccc2c1OC(C)C(=O)N2.
What is the InChIKey of N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is AGEQNIJASHTVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8(15)6-7-16-14(19)10-4-3-5-11-12(10)20-9(2)13(18)17-11/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 119499696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).