N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride

C21H28ClN3O2 — CID 119659612

IUPACN-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccccc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-15(2)18(22)13-14-24(3)21(26)17-11-7-8-12-19(17)23-20(25)16-9-5-4-6-10-16;/h4-12,15,18H,13-14,22H2,1-3H3,(H,23,25);1H
InChIKeyYHLCORXOSRJDEM-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.81
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride (PubChem CID 119659612) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
PubChem CID119659612
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC NameN-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccccc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-15(2)18(22)13-14-24(3)21(26)17-11-7-8-12-19(17)23-20(25)16-9-5-4-6-10-16;/h4-12,15,18H,13-14,22H2,1-3H3,(H,23,25);1H
InChIKeyYHLCORXOSRJDEM-UHFFFAOYSA-N
XLogP3.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
CID 119660112
N-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 61377480
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 119657829
N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride
CID 119660116
N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119657284

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride (CID 119659612) is N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1ccccc1NC(=O)c1ccccc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride?
The InChIKey is YHLCORXOSRJDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-15(2)18(22)13-14-24(3)21(26)17-11-7-8-12-19(17)23-20(25)16-9-5-4-6-10-16;/h4-12,15,18H,13-14,22H2,1-3H3,(H,23,25);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119659612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).