2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride

C13H19Cl2N3O2 — CID 119842897

IUPAC2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccc2nc(C)oc2c1.Cl.Cl
InChIInChI=1S/C13H17N3O2.2ClH/c1-8(7-14-3)13(17)16-10-4-5-11-12(6-10)18-9(2)15-11;;/h4-6,8,14H,7H2,1-3H3,(H,16,17);2*1H
InChIKeyMZYLVEZVDONXBN-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.77
Rot. Bonds4

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

2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride (PubChem CID 119842897) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
PubChem CID119842897
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC Name2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccc2nc(C)oc2c1.Cl.Cl
InChIInChI=1S/C13H17N3O2.2ClH/c1-8(7-14-3)13(17)16-10-4-5-11-12(6-10)18-9(2)15-11;;/h4-6,8,14H,7H2,1-3H3,(H,16,17);2*1H
InChIKeyMZYLVEZVDONXBN-UHFFFAOYSA-N
XLogP2.77
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115179128
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
2-hydroxy-N-(2-methyl-1,3-benzoxazol-6-yl)-2-phenylacetamide
CID 111536513
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 110894504
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride (CID 119842897) is 2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1ccc2nc(C)oc2c1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride?
The InChIKey is MZYLVEZVDONXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.2ClH/c1-8(7-14-3)13(17)16-10-4-5-11-12(6-10)18-9(2)15-11;;/h4-6,8,14H,7H2,1-3H3,(H,16,17);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride has a molecular weight of 320.22 g/mol, XLogP of 2.77, 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-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119842897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).