2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride

C14H23Cl2N3O2 — CID 119889246

IUPAC2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccc2c(c1)N(C)CCO2.Cl.Cl
InChIInChI=1S/C14H21N3O2.2ClH/c1-10(9-15-2)14(18)16-11-4-5-13-12(8-11)17(3)6-7-19-13;;/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,18);2*1H
InChIKeyDFUWOIDLJLDRFW-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.15
Rot. Bonds4

About 2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride (PubChem CID 119889246) has the molecular formula C14H23Cl2N3O2 and a molecular weight of 336.26 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride
PubChem CID119889246
Molecular FormulaC14H23Cl2N3O2
Molecular Weight336.26 g/mol
Exact Mass335.12
IUPAC Name2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccc2c(c1)N(C)CCO2.Cl.Cl
InChIInChI=1S/C14H21N3O2.2ClH/c1-10(9-15-2)14(18)16-11-4-5-13-12(8-11)17(3)6-7-19-13;;/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,18);2*1H
InChIKeyDFUWOIDLJLDRFW-UHFFFAOYSA-N
XLogP2.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119669230
(2S)-2-amino-3,3-dimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)butanamide
CID 119889241
2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide;dihydrochloride
CID 119889218
3-amino-2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 119889229
1,1-diethyl-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)urea
CID 110639588
2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 119889219
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589
2-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
CID 110729427
2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110639571
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 167856806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride (CID 119889246) is 2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1ccc2c(c1)N(C)CCO2.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride?
The InChIKey is DFUWOIDLJLDRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.2ClH/c1-10(9-15-2)14(18)16-11-4-5-13-12(8-11)17(3)6-7-19-13;;/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,16,18);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride has a molecular weight of 336.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119889246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).