N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride

C16H29Cl2N3O — CID 119583131

IUPACN-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride
SMILESCCCCN(C)c1ccc(C(=O)N(C)C(C)CN)cc1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-5-6-11-18(3)15-9-7-14(8-10-15)16(20)19(4)13(2)12-17;;/h7-10,13H,5-6,11-12,17H2,1-4H3;2*1H
InChIKeyZFPNQQPLNMPJIV-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.19
Rot. Bonds7

About N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride

N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride (PubChem CID 119583131) has the molecular formula C16H29Cl2N3O and a molecular weight of 350.33 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride
PubChem CID119583131
Molecular FormulaC16H29Cl2N3O
Molecular Weight350.33 g/mol
Exact Mass349.17
IUPAC NameN-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride
SMILESCCCCN(C)c1ccc(C(=O)N(C)C(C)CN)cc1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-5-6-11-18(3)15-9-7-14(8-10-15)16(20)19(4)13(2)12-17;;/h7-10,13H,5-6,11-12,17H2,1-4H3;2*1H
InChIKeyZFPNQQPLNMPJIV-UHFFFAOYSA-N
XLogP3.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
CID 119581442
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
4-N-(1-aminopropan-2-yl)-1-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide;hydrochloride
CID 119584228
2-(dimethylamino)ethyl 4-[butyl(methyl)amino]benzoate
CID 134843847

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride (CID 119583131) is N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride is CCCCN(C)c1ccc(C(=O)N(C)C(C)CN)cc1.Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride?
The InChIKey is ZFPNQQPLNMPJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.2ClH/c1-5-6-11-18(3)15-9-7-14(8-10-15)16(20)19(4)13(2)12-17;;/h7-10,13H,5-6,11-12,17H2,1-4H3;2*1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride?
N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride has a molecular weight of 350.33 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-[butyl(methyl)amino]-N-methylbenzamide;dihydrochloride is sourced from PubChem (CID 119583131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).