3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride

C13H23Cl2N3O — CID 119874425

IUPAC3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
SMILESCC(C)N(C)CCNC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-10(2)16(3)8-7-15-13(17)11-5-4-6-12(14)9-11;;/h4-6,9-10H,7-8,14H2,1-3H3,(H,15,17);2*1H
InChIKeyAXAHQWUUKBSAAM-UHFFFAOYSA-N
MW308.25 g/mol
LogP2.18
Rot. Bonds5

About 3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride

3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride (PubChem CID 119874425) has the molecular formula C13H23Cl2N3O and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
PubChem CID119874425
Molecular FormulaC13H23Cl2N3O
Molecular Weight308.25 g/mol
Exact Mass307.12
IUPAC Name3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
SMILESCC(C)N(C)CCNC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-10(2)16(3)8-7-15-13(17)11-5-4-6-12(14)9-11;;/h4-6,9-10H,7-8,14H2,1-3H3,(H,15,17);2*1H
InChIKeyAXAHQWUUKBSAAM-UHFFFAOYSA-N
XLogP2.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 119684027
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CID 54937953
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 119728935
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3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
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3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride (CID 119874425) is 3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride is CC(C)N(C)CCNC(=O)c1cccc(N)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride?
The InChIKey is AXAHQWUUKBSAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.2ClH/c1-10(2)16(3)8-7-15-13(17)11-5-4-6-12(14)9-11;;/h4-6,9-10H,7-8,14H2,1-3H3,(H,15,17);2*1H.
What are the key properties of 3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride?
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride has a molecular weight of 308.25 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119874425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).