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

C17H29ClN4O2 — CID 119660112

IUPACN-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cccc(NC(=O)N(C)C)c1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-12(2)15(18)9-10-21(5)16(22)13-7-6-8-14(11-13)19-17(23)20(3)4;/h6-8,11-12,15H,9-10,18H2,1-5H3,(H,19,23);1H
InChIKeyQDBZZBNJZGDKHF-UHFFFAOYSA-N
MW356.90 g/mol
LogP2.65
Rot. Bonds6

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

N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride (PubChem CID 119660112) has the molecular formula C17H29ClN4O2 and a molecular weight of 356.90 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
PubChem CID119660112
Molecular FormulaC17H29ClN4O2
Molecular Weight356.90 g/mol
Exact Mass356.20
IUPAC NameN-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cccc(NC(=O)N(C)C)c1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-12(2)15(18)9-10-21(5)16(22)13-7-6-8-14(11-13)19-17(23)20(3)4;/h6-8,11-12,15H,9-10,18H2,1-5H3,(H,19,23);1H
InChIKeyQDBZZBNJZGDKHF-UHFFFAOYSA-N
XLogP2.65
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-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)-N-methyl-3-(propanoylamino)benzamide
CID 119659582
N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 119659590
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119660635
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119661064
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119657347
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555
N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 119657426
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119658376
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride (CID 119660112) is N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1cccc(NC(=O)N(C)C)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride?
The InChIKey is QDBZZBNJZGDKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.ClH/c1-12(2)15(18)9-10-21(5)16(22)13-7-6-8-14(11-13)19-17(23)20(3)4;/h6-8,11-12,15H,9-10,18H2,1-5H3,(H,19,23);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 2.65, 6 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)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119660112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).