N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride

C13H21ClN2O3 — CID 119406862

IUPACN-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
SMILESCOCCOc1ccc(C(=O)NCCCN)cc1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-17-9-10-18-12-5-3-11(4-6-12)13(16)15-8-2-7-14;/h3-6H,2,7-10,14H2,1H3,(H,15,16);1H
InChIKeyNEWNLQPWQPQOFG-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.21
Rot. Bonds8

About N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride

N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride (PubChem CID 119406862) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
PubChem CID119406862
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC NameN-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
SMILESCOCCOc1ccc(C(=O)NCCCN)cc1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-17-9-10-18-12-5-3-11(4-6-12)13(16)15-8-2-7-14;/h3-6H,2,7-10,14H2,1H3,(H,15,16);1H
InChIKeyNEWNLQPWQPQOFG-UHFFFAOYSA-N
XLogP1.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride (CID 119406862) is N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride is COCCOc1ccc(C(=O)NCCCN)cc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride?
The InChIKey is NEWNLQPWQPQOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-17-9-10-18-12-5-3-11(4-6-12)13(16)15-8-2-7-14;/h3-6H,2,7-10,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride?
N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119406862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).