N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride

C20H34ClN3O2 — CID 119660831

IUPACN-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
SMILESCc1cc(C(=O)N(C)CCC(N)C(C)C)ccc1NC(=O)CC(C)C.Cl
InChIInChI=1S/C20H33N3O2.ClH/c1-13(2)11-19(24)22-18-8-7-16(12-15(18)5)20(25)23(6)10-9-17(21)14(3)4;/h7-8,12-14,17H,9-11,21H2,1-6H3,(H,22,24);1H
InChIKeyHAGMHRXOOFLDNI-UHFFFAOYSA-N
MW383.96 g/mol
LogP3.85
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride

N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride (PubChem CID 119660831) has the molecular formula C20H34ClN3O2 and a molecular weight of 383.96 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
PubChem CID119660831
Molecular FormulaC20H34ClN3O2
Molecular Weight383.96 g/mol
Exact Mass383.23
IUPAC NameN-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
SMILESCc1cc(C(=O)N(C)CCC(N)C(C)C)ccc1NC(=O)CC(C)C.Cl
InChIInChI=1S/C20H33N3O2.ClH/c1-13(2)11-19(24)22-18-8-7-16(12-15(18)5)20(25)23(6)10-9-17(21)14(3)4;/h7-8,12-14,17H,9-11,21H2,1-6H3,(H,22,24);1H
InChIKeyHAGMHRXOOFLDNI-UHFFFAOYSA-N
XLogP3.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.96
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;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

3-[methyl-[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 119232948
2-[methyl-[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]acetic acid
CID 119172245
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 119656491
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
N,3-dimethyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 63213774
N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119657284
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119630091
N-(3-aminopropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119408504
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide
CID 119659582

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride (CID 119660831) is N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride is Cc1cc(C(=O)N(C)CCC(N)C(C)C)ccc1NC(=O)CC(C)C.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride?
The InChIKey is HAGMHRXOOFLDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2.ClH/c1-13(2)11-19(24)22-18-8-7-16(12-15(18)5)20(25)23(6)10-9-17(21)14(3)4;/h7-8,12-14,17H,9-11,21H2,1-6H3,(H,22,24);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride has a molecular weight of 383.96 g/mol, XLogP of 3.85, 8 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)-N,3-dimethyl-4-(3-methylbutanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119660831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).