N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride

C19H24ClN3O4 — CID 120884383

IUPACN-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C19H23N3O4.ClH/c1-2-26-18-9-8-16(14-17(18)22(24)25)19(23)21(13-11-20)12-10-15-6-4-3-5-7-15;/h3-9,14H,2,10-13,20H2,1H3;1H
InChIKeyISNJLMUBZMTQFZ-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.06
Rot. Bonds9

About N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride

N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride (PubChem CID 120884383) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride
PubChem CID120884383
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC NameN-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C19H23N3O4.ClH/c1-2-26-18-9-8-16(14-17(18)22(24)25)19(23)21(13-11-20)12-10-15-6-4-3-5-7-15;/h3-9,14H,2,10-13,20H2,1H3;1H
InChIKeyISNJLMUBZMTQFZ-UHFFFAOYSA-N
XLogP3.06
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.06
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'}

Analyze N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)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

N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide
CID 120884384
N-(2-aminoethyl)-3-methyl-4-nitro-N-(2-phenylethyl)benzamide
CID 120887038
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
3-[(4-ethoxy-3-nitrobenzoyl)-ethylamino]propanoic acid
CID 119191364
N-benzyl-4-ethoxy-3-nitro-N-propan-2-ylbenzamide
CID 30099872
N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886449
N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide
CID 38270776
N-(2-aminoethyl)-4-(difluoromethoxy)-3-methoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886341
N-(2-aminoethyl)-5-nitro-N-(2-phenylethyl)thiophene-3-carboxamide;hydrochloride
CID 120884559
4-methoxy-3-nitro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166650
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride (CID 120884383) is N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride is CCOc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1[N+](=O)[O-].Cl.
What is the InChIKey of N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride?
The InChIKey is ISNJLMUBZMTQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4.ClH/c1-2-26-18-9-8-16(14-17(18)22(24)25)19(23)21(13-11-20)12-10-15-6-4-3-5-7-15;/h3-9,14H,2,10-13,20H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride?
N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride is sourced from PubChem (CID 120884383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).