N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride

C13H21ClN2O3 — CID 119996429

IUPACN-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)NCC(C)CN)c1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-9(7-14)8-15-13(16)10-4-11(17-2)6-12(5-10)18-3;/h4-6,9H,7-8,14H2,1-3H3,(H,15,16);1H
InChIKeyFMYIGYKTVLESKU-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.45
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride

N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride (PubChem CID 119996429) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride
PubChem CID119996429
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC NameN-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)NCC(C)CN)c1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-9(7-14)8-15-13(16)10-4-11(17-2)6-12(5-10)18-3;/h4-6,9H,7-8,14H2,1-3H3,(H,15,16);1H
InChIKeyFMYIGYKTVLESKU-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylbutyl)-3,5-dimethoxybenzamide
CID 114316944
N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
CID 119996487
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276
N-(2-aminopentyl)-3,5-dimethoxybenzamide
CID 115737673
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119997903
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119997904
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride (CID 119996429) is N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride is COc1cc(OC)cc(C(=O)NCC(C)CN)c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride?
The InChIKey is FMYIGYKTVLESKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-9(7-14)8-15-13(16)10-4-11(17-2)6-12(5-10)18-3;/h4-6,9H,7-8,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119996429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).