N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride

C15H24ClN3O4 — CID 119657897

IUPACN-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC(N)C(C)C)c1.Cl
InChIInChI=1S/C15H23N3O4.ClH/c1-10(2)13(16)7-8-17(3)15(19)12-9-11(22-4)5-6-14(12)18(20)21;/h5-6,9-10,13H,7-8,16H2,1-4H3;1H
InChIKeyLERZQZGNOLYLCR-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.47
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride (PubChem CID 119657897) has the molecular formula C15H24ClN3O4 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride
PubChem CID119657897
Molecular FormulaC15H24ClN3O4
Molecular Weight345.83 g/mol
Exact Mass345.15
IUPAC NameN-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC(N)C(C)C)c1.Cl
InChIInChI=1S/C15H23N3O4.ClH/c1-10(2)13(16)7-8-17(3)15(19)12-9-11(22-4)5-6-14(12)18(20)21;/h5-6,9-10,13H,7-8,16H2,1-4H3;1H
InChIKeyLERZQZGNOLYLCR-UHFFFAOYSA-N
XLogP2.47
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methylpentyl)-5-fluoro-N-methyl-2-nitrobenzamide;hydrochloride
CID 119659936
N-(3-amino-4-methylpentyl)-5-chloro-N-methyl-2-nitrobenzamide
CID 81487192
N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119658474
N-(3-amino-4-methylpentyl)-N,5-dimethyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119659634
N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride
CID 119658659
5-chloro-N-methyl-N-(3-methylbutyl)-2-nitrobenzamide
CID 60741147
N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide
CID 115317493
N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride
CID 119658346
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
CID 119657241
2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone
CID 21275738
N-(3-amino-4-methylpentyl)-N-methyl-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 119660307
[3-(1-aminoethyl)piperidin-1-yl]-(5-methoxy-2-nitrophenyl)methanone;hydrochloride
CID 119593304

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride (CID 119657897) is N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride is COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC(N)C(C)C)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride?
The InChIKey is LERZQZGNOLYLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4.ClH/c1-10(2)13(16)7-8-17(3)15(19)12-9-11(22-4)5-6-14(12)18(20)21;/h5-6,9-10,13H,7-8,16H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119657897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).