N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride

C12H19ClN2O2 — CID 119407722

IUPACN-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
SMILESCCOc1cccc(C(=O)NCCCN)c1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-2-16-11-6-3-5-10(9-11)12(15)14-8-4-7-13;/h3,5-6,9H,2,4,7-8,13H2,1H3,(H,14,15);1H
InChIKeyPSPKLMZRFUBDPP-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.59
Rot. Bonds6

About N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride

N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride (PubChem CID 119407722) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
PubChem CID119407722
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC NameN-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
SMILESCCOc1cccc(C(=O)NCCCN)c1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-2-16-11-6-3-5-10(9-11)12(15)14-8-4-7-13;/h3,5-6,9H,2,4,7-8,13H2,1H3,(H,14,15);1H
InChIKeyPSPKLMZRFUBDPP-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-3-ethoxybenzamide;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

3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502998
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid
CID 110495239
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
3-(2-ethoxyethoxy)-N-hexadecylbenzamide
CID 17139521
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride (CID 119407722) is N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride is CCOc1cccc(C(=O)NCCCN)c1.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride?
The InChIKey is PSPKLMZRFUBDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-2-16-11-6-3-5-10(9-11)12(15)14-8-4-7-13;/h3,5-6,9H,2,4,7-8,13H2,1H3,(H,14,15);1H.
What are the key properties of N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride?
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride is sourced from PubChem (CID 119407722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).