N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride

C19H22ClN3O3 — CID 119528686

IUPACN-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
SMILESCC1Oc2ccccc2N(CC(=O)NCC(N)c2ccccc2)C1=O.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-13-19(24)22(16-9-5-6-10-17(16)25-13)12-18(23)21-11-15(20)14-7-3-2-4-8-14;/h2-10,13,15H,11-12,20H2,1H3,(H,21,23);1H
InChIKeyPLXXREDHBLPJNE-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.04
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride

N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride (PubChem CID 119528686) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
PubChem CID119528686
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
SMILESCC1Oc2ccccc2N(CC(=O)NCC(N)c2ccccc2)C1=O.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-13-19(24)22(16-9-5-6-10-17(16)25-13)12-18(23)21-11-15(20)14-7-3-2-4-8-14;/h2-10,13,15H,11-12,20H2,1H3,(H,21,23);1H
InChIKeyPLXXREDHBLPJNE-UHFFFAOYSA-N
XLogP2.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride (CID 119528686) is N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride is CC1Oc2ccccc2N(CC(=O)NCC(N)c2ccccc2)C1=O.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride?
The InChIKey is PLXXREDHBLPJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.ClH/c1-13-19(24)22(16-9-5-6-10-17(16)25-13)12-18(23)21-11-15(20)14-7-3-2-4-8-14;/h2-10,13,15H,11-12,20H2,1H3,(H,21,23);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119528686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).