N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride

C18H23ClN2O3 — CID 119407971

IUPACN-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride
SMILESCCOc1ccccc1Oc1ccccc1C(=O)NCCCN.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-2-22-16-10-5-6-11-17(16)23-15-9-4-3-8-14(15)18(21)20-13-7-12-19;/h3-6,8-11H,2,7,12-13,19H2,1H3,(H,20,21);1H
InChIKeyVEJMHRDARWQERG-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.38
Rot. Bonds8

About N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride

N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride (PubChem CID 119407971) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride
PubChem CID119407971
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride
SMILESCCOc1ccccc1Oc1ccccc1C(=O)NCCCN.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-2-22-16-10-5-6-11-17(16)23-15-9-4-3-8-14(15)18(21)20-13-7-12-19;/h3-6,8-11H,2,7,12-13,19H2,1H3,(H,20,21);1H
InChIKeyVEJMHRDARWQERG-UHFFFAOYSA-N
XLogP3.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-2-(2-ethoxyphenoxy)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-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030
2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 134042472
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride (CID 119407971) is N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride is CCOc1ccccc1Oc1ccccc1C(=O)NCCCN.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride?
The InChIKey is VEJMHRDARWQERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-2-22-16-10-5-6-11-17(16)23-15-9-4-3-8-14(15)18(21)20-13-7-12-19;/h3-6,8-11H,2,7,12-13,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride?
N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride is sourced from PubChem (CID 119407971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).