N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride

C18H30ClN3O4 — CID 119598009

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
SMILESCNC(=O)COc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1OC.Cl
InChIInChI=1S/C18H29N3O4.ClH/c1-12(2)9-18(3,11-19)21-17(23)13-6-7-14(15(8-13)24-5)25-10-16(22)20-4;/h6-8,12H,9-11,19H2,1-5H3,(H,20,22)(H,21,23);1H
InChIKeyKULVHKTWCGLZLI-UHFFFAOYSA-N
MW387.91 g/mol
LogP1.74
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride (PubChem CID 119598009) has the molecular formula C18H30ClN3O4 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
PubChem CID119598009
Molecular FormulaC18H30ClN3O4
Molecular Weight387.91 g/mol
Exact Mass387.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
SMILESCNC(=O)COc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1OC.Cl
InChIInChI=1S/C18H29N3O4.ClH/c1-12(2)9-18(3,11-19)21-17(23)13-6-7-14(15(8-13)24-5)25-10-16(22)20-4;/h6-8,12H,9-11,19H2,1-5H3,(H,20,22)(H,21,23);1H
InChIKeyKULVHKTWCGLZLI-UHFFFAOYSA-N
XLogP1.74
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 119600077
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 119598153
2-(5-acetyl-2-methoxyphenyl)-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide;hydrochloride
CID 119597445
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119613742
N-(1-amino-2,4-dimethylpentan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119597907
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(methoxymethyl)benzamide;hydrochloride
CID 119600158
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride (CID 119598009) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride is CNC(=O)COc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1OC.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride?
The InChIKey is KULVHKTWCGLZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4.ClH/c1-12(2)9-18(3,11-19)21-17(23)13-6-7-14(15(8-13)24-5)25-10-16(22)20-4;/h6-8,12H,9-11,19H2,1-5H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride is sourced from PubChem (CID 119598009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).