N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride

C14H20ClN3O3 — CID 119997128

IUPACN-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cccc2c1OC(C)C(=O)N2.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-8(6-15)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);1H
InChIKeyJHTNKURFDWLEHS-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.15
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride (PubChem CID 119997128) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
PubChem CID119997128
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cccc2c1OC(C)C(=O)N2.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-8(6-15)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);1H
InChIKeyJHTNKURFDWLEHS-UHFFFAOYSA-N
XLogP1.15
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride (CID 119997128) is N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride is CC(CN)CNC(=O)c1cccc2c1OC(C)C(=O)N2.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
The InChIKey is JHTNKURFDWLEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-8(6-15)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);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide;hydrochloride is sourced from PubChem (CID 119997128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).