N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride

C19H24ClN3O3 — CID 120649607

IUPACN-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride
SMILESCCc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-2-16-9-10-17(13-18(16)22(24)25)19(23)21(12-6-11-20)14-15-7-4-3-5-8-15;/h3-5,7-10,13H,2,6,11-12,14,20H2,1H3;1H
InChIKeyGRRMGIGZKDZLBK-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.57
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride (PubChem CID 120649607) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride
PubChem CID120649607
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride
SMILESCCc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-2-16-9-10-17(13-18(16)22(24)25)19(23)21(12-6-11-20)14-15-7-4-3-5-8-15;/h3-5,7-10,13H,2,6,11-12,14,20H2,1H3;1H
InChIKeyGRRMGIGZKDZLBK-UHFFFAOYSA-N
XLogP3.57
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-aminopropyl)-N-benzyl-2-methyl-4-nitrobenzamide;hydrochloride
CID 120649298
N-(3-aminopropyl)-N-benzyl-2-(2-nitrophenyl)acetamide;hydrochloride
CID 120649021
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2-methyl-3-nitrobenzamide
CID 120649508
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride (CID 120649607) is N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride is CCc1ccc(C(=O)N(CCCN)Cc2ccccc2)cc1[N+](=O)[O-].Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride?
The InChIKey is GRRMGIGZKDZLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-2-16-9-10-17(13-18(16)22(24)25)19(23)21(12-6-11-20)14-15-7-4-3-5-8-15;/h3-5,7-10,13H,2,6,11-12,14,20H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-ethyl-3-nitrobenzamide;hydrochloride is sourced from PubChem (CID 120649607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).