N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride

C19H24ClN3O4 — CID 120886449

IUPACN-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O4.ClH/c20-12-14-21(13-10-16-6-2-1-3-7-16)19(23)11-15-26-18-9-5-4-8-17(18)22(24)25;/h1-9H,10-15,20H2;1H
InChIKeyCINCGNICSLPJGV-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.82
Rot. Bonds10

About N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride

N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 120886449) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID120886449
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC NameN-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O4.ClH/c20-12-14-21(13-10-16-6-2-1-3-7-16)19(23)11-15-26-18-9-5-4-8-17(18)22(24)25;/h1-9H,10-15,20H2;1H
InChIKeyCINCGNICSLPJGV-UHFFFAOYSA-N
XLogP2.82
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.82
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-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885953
N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884383
N-(2-aminoethyl)-4-ethoxy-3-nitro-N-(2-phenylethyl)benzamide
CID 120884384
N-(2-aminoethyl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 119384068
N-(2-aminoethyl)-2-(2-fluorophenoxy)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884947
N,N-diethyl-4-(2-nitrophenoxy)butanamide
CID 84556302
N-(2-aminoethyl)-3-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886967
N-(2-aminoethyl)-2-(2-ethoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 120884950
N-(3-aminopropyl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 119407258
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-2-(2-chlorophenoxy)-N-(2-phenylethyl)acetamide
CID 120885508

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride (CID 120886449) is N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)CCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is CINCGNICSLPJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4.ClH/c20-12-14-21(13-10-16-6-2-1-3-7-16)19(23)11-15-26-18-9-5-4-8-17(18)22(24)25;/h1-9H,10-15,20H2;1H.
What are the key properties of N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride?
N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120886449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).