2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride

C17H31Cl2N3O — CID 119432416

IUPAC2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
SMILESCNCCCNC(=O)c1cccc(NC(C)C(C)C)c1C.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-12(2)14(4)20-16-9-6-8-15(13(16)3)17(21)19-11-7-10-18-5;;/h6,8-9,12,14,18,20H,7,10-11H2,1-5H3,(H,19,21);2*1H
InChIKeyOAZKHYZXIRNVEZ-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.63
Rot. Bonds8

About 2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride

2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride (PubChem CID 119432416) has the molecular formula C17H31Cl2N3O and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
PubChem CID119432416
Molecular FormulaC17H31Cl2N3O
Molecular Weight364.36 g/mol
Exact Mass363.18
IUPAC Name2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
SMILESCNCCCNC(=O)c1cccc(NC(C)C(C)C)c1C.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-12(2)14(4)20-16-9-6-8-15(13(16)3)17(21)19-11-7-10-18-5;;/h6,8-9,12,14,18,20H,7,10-11H2,1-5H3,(H,19,21);2*1H
InChIKeyOAZKHYZXIRNVEZ-UHFFFAOYSA-N
XLogP3.63
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119407414
N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119497813
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 120945658
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119557753
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536338
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429539
2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide
CID 96523879
(2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate
CID 95636343
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
CID 119615851
2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663644
2,3-dihydroxy-N-[3-(propan-2-ylamino)propyl]benzamide
CID 90364861
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 119429882

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
The IUPAC name of 2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride (CID 119432416) is 2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride.
What is the SMILES notation for 2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
The canonical SMILES for 2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride is CNCCCNC(=O)c1cccc(NC(C)C(C)C)c1C.Cl.Cl.
What is the InChIKey of 2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
The InChIKey is OAZKHYZXIRNVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.2ClH/c1-12(2)14(4)20-16-9-6-8-15(13(16)3)17(21)19-11-7-10-18-5;;/h6,8-9,12,14,18,20H,7,10-11H2,1-5H3,(H,19,21);2*1H.
What are the key properties of 2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride?
2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride has a molecular weight of 364.36 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride is sourced from PubChem (CID 119432416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).