N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride

C16H27ClN2O — CID 119657274

IUPACN-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
SMILESCCc1ccc(C(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-13-6-8-14(9-7-13)16(19)18(4)11-10-15(17)12(2)3;/h6-9,12,15H,5,10-11,17H2,1-4H3;1H
InChIKeyQZQHNAYRDMQNET-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.12
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride (PubChem CID 119657274) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
PubChem CID119657274
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
SMILESCCc1ccc(C(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-13-6-8-14(9-7-13)16(19)18(4)11-10-15(17)12(2)3;/h6-9,12,15H,5,10-11,17H2,1-4H3;1H
InChIKeyQZQHNAYRDMQNET-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119657613
N-(3-amino-4-methylpentyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119657579
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)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119659302
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119660257
N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride
CID 119659238
N-(3-amino-4-methylpentyl)-N-methyl-5-methylsulfanylfuran-2-carboxamide;hydrochloride
CID 119658758

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride (CID 119657274) is N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride is CCc1ccc(C(=O)N(C)CCC(N)C(C)C)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride?
The InChIKey is QZQHNAYRDMQNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-5-13-6-8-14(9-7-13)16(19)18(4)11-10-15(17)12(2)3;/h6-9,12,15H,5,10-11,17H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119657274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).