2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride

C15H27Cl2N3O2 — CID 119947402

IUPAC2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride
SMILESCCOC(CCN(C)C)CNC(=O)c1ccccc1N.Cl.Cl
InChIInChI=1S/C15H25N3O2.2ClH/c1-4-20-12(9-10-18(2)3)11-17-15(19)13-7-5-6-8-14(13)16;;/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyNHMKCKBYQLNCKV-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.20
Rot. Bonds8

About 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride

2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride (PubChem CID 119947402) has the molecular formula C15H27Cl2N3O2 and a molecular weight of 352.31 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride
PubChem CID119947402
Molecular FormulaC15H27Cl2N3O2
Molecular Weight352.31 g/mol
Exact Mass351.15
IUPAC Name2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride
SMILESCCOC(CCN(C)C)CNC(=O)c1ccccc1N.Cl.Cl
InChIInChI=1S/C15H25N3O2.2ClH/c1-4-20-12(9-10-18(2)3)11-17-15(19)13-7-5-6-8-14(13)16;;/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyNHMKCKBYQLNCKV-UHFFFAOYSA-N
XLogP2.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593
2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119946988
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide
CID 134466501
2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
CID 119946555
2-amino-N-dodecylbenzamide
CID 54099396
3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 172646860
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride (CID 119947402) is 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride is CCOC(CCN(C)C)CNC(=O)c1ccccc1N.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride?
The InChIKey is NHMKCKBYQLNCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.2ClH/c1-4-20-12(9-10-18(2)3)11-17-15(19)13-7-5-6-8-14(13)16;;/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride?
2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride has a molecular weight of 352.31 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride is sourced from PubChem (CID 119947402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).