N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride

C19H35Cl2N3O — CID 119657613

IUPACN-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
SMILESCCCN(CC)c1ccc(C(=O)N(C)CCC(N)C(C)C)cc1.Cl.Cl
InChIInChI=1S/C19H33N3O.2ClH/c1-6-13-22(7-2)17-10-8-16(9-11-17)19(23)21(5)14-12-18(20)15(3)4;;/h8-11,15,18H,6-7,12-14,20H2,1-5H3;2*1H
InChIKeySPAOEBYXQMBKKL-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.21
Rot. Bonds9

About N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride

N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride (PubChem CID 119657613) has the molecular formula C19H35Cl2N3O and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
PubChem CID119657613
Molecular FormulaC19H35Cl2N3O
Molecular Weight392.42 g/mol
Exact Mass391.22
IUPAC NameN-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
SMILESCCCN(CC)c1ccc(C(=O)N(C)CCC(N)C(C)C)cc1.Cl.Cl
InChIInChI=1S/C19H33N3O.2ClH/c1-6-13-22(7-2)17-10-8-16(9-11-17)19(23)21(5)14-12-18(20)15(3)4;;/h8-11,15,18H,6-7,12-14,20H2,1-5H3;2*1H
InChIKeySPAOEBYXQMBKKL-UHFFFAOYSA-N
XLogP4.21
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119652761
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119658844
N-(3-amino-4-methylpentyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide;dihydrochloride
CID 119661472
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
CID 119659188
N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119660257

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride (CID 119657613) is N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride is CCCN(CC)c1ccc(C(=O)N(C)CCC(N)C(C)C)cc1.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride?
The InChIKey is SPAOEBYXQMBKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O.2ClH/c1-6-13-22(7-2)17-10-8-16(9-11-17)19(23)21(5)14-12-18(20)15(3)4;;/h8-11,15,18H,6-7,12-14,20H2,1-5H3;2*1H.
What are the key properties of N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride?
N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride has a molecular weight of 392.42 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride is sourced from PubChem (CID 119657613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).