4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride

C13H21ClN2O2 — CID 67368150

IUPAC4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride
SMILESCl.NCCCCc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C13H20N2O2.ClH/c14-8-2-1-3-11-4-6-12(7-5-11)13(17)15-9-10-16;/h4-7,16H,1-3,8-10,14H2,(H,15,17);1H
InChIKeyMDYKTTHAHFSZDV-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.11
Rot. Bonds7

About 4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride

4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride (PubChem CID 67368150) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride
PubChem CID67368150
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride
SMILESCl.NCCCCc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C13H20N2O2.ClH/c14-8-2-1-3-11-4-6-12(7-5-11)13(17)15-9-10-16;/h4-7,16H,1-3,8-10,14H2,(H,15,17);1H
InChIKeyMDYKTTHAHFSZDV-UHFFFAOYSA-N
XLogP1.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
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N-(2-hydroxyethyl)-4-(methylaminomethyl)benzamide
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4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
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[4-(4-aminobutyl)phenyl]methanol
CID 11550093
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CID 13016028

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride?
The IUPAC name of 4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride (CID 67368150) is 4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride is Cl.NCCCCc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride?
The InChIKey is MDYKTTHAHFSZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c14-8-2-1-3-11-4-6-12(7-5-11)13(17)15-9-10-16;/h4-7,16H,1-3,8-10,14H2,(H,15,17);1H.
What are the key properties of 4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride?
4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride is sourced from PubChem (CID 67368150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).