N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride

C14H23ClN2O3 — CID 119494749

IUPACN-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
SMILESCOCCOc1cccc(C(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-11(15)6-7-16-14(17)12-4-3-5-13(10-12)19-9-8-18-2;/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,17);1H
InChIKeyKOLCGBLZAUTECJ-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.60
Rot. Bonds8

About N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride

N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride (PubChem CID 119494749) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
PubChem CID119494749
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC NameN-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
SMILESCOCCOc1cccc(C(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-11(15)6-7-16-14(17)12-4-3-5-13(10-12)19-9-8-18-2;/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,17);1H
InChIKeyKOLCGBLZAUTECJ-UHFFFAOYSA-N
XLogP1.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminobutyl)-3-(2-methoxyethoxy)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-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119497996
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
CID 119497787
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119547417
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride (CID 119494749) is N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride is COCCOc1cccc(C(=O)NCCC(C)N)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride?
The InChIKey is KOLCGBLZAUTECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-11(15)6-7-16-14(17)12-4-3-5-13(10-12)19-9-8-18-2;/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride?
N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119494749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).