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

C13H21ClN2O3 — CID 119630210

IUPACN-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NCC(C)(C)N)c1OC.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-13(2,14)8-15-12(16)9-6-5-7-10(17-3)11(9)18-4;/h5-7H,8,14H2,1-4H3,(H,15,16);1H
InChIKeySHYCXPPWDUMOOT-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.59
Rot. Bonds5

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

N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride (PubChem CID 119630210) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
PubChem CID119630210
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC NameN-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
SMILESCOc1cccc(C(=O)NCC(C)(C)N)c1OC.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-13(2,14)8-15-12(16)9-6-5-7-10(17-3)11(9)18-4;/h5-7H,8,14H2,1-4H3,(H,15,16);1H
InChIKeySHYCXPPWDUMOOT-UHFFFAOYSA-N
XLogP1.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide
CID 104857991
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
N-(2-amino-2-methylpropyl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119630205
N-(2-amino-2-methylpropyl)-2-(2,6-dimethoxyphenyl)acetamide;hydrochloride
CID 119628885
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride (CID 119630210) is N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride is COc1cccc(C(=O)NCC(C)(C)N)c1OC.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride?
The InChIKey is SHYCXPPWDUMOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-13(2,14)8-15-12(16)9-6-5-7-10(17-3)11(9)18-4;/h5-7H,8,14H2,1-4H3,(H,15,16);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.59, 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-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119630210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).