N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride

C20H27ClN2O3 — CID 119548952

IUPACN-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)NCCc2ccc(N)cc2)cc1OCC.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-3-13-25-18-10-7-16(14-19(18)24-4-2)20(23)22-12-11-15-5-8-17(21)9-6-15;/h5-10,14H,3-4,11-13,21H2,1-2H3,(H,22,23);1H
InChIKeyQEHUXCUGOOGKTN-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.85
Rot. Bonds9

About N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride (PubChem CID 119548952) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
PubChem CID119548952
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)NCCc2ccc(N)cc2)cc1OCC.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-3-13-25-18-10-7-16(14-19(18)24-4-2)20(23)22-12-11-15-5-8-17(21)9-6-15;/h5-10,14H,3-4,11-13,21H2,1-2H3,(H,22,23);1H
InChIKeyQEHUXCUGOOGKTN-UHFFFAOYSA-N
XLogP3.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
N-[2-(4-aminophenyl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79737144
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride (CID 119548952) is N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride is CCCOc1ccc(C(=O)NCCc2ccc(N)cc2)cc1OCC.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride?
The InChIKey is QEHUXCUGOOGKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-3-13-25-18-10-7-16(14-19(18)24-4-2)20(23)22-12-11-15-5-8-17(21)9-6-15;/h5-10,14H,3-4,11-13,21H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-ethoxy-4-propoxybenzamide;hydrochloride is sourced from PubChem (CID 119548952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).