5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride

C12H19ClN2O2 — CID 120620370

IUPAC5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
SMILESCCOCCNC(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-3-16-7-6-14-12(15)11-8-10(13)5-4-9(11)2;/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15);1H
InChIKeyKXLUGXMXLSUIRQ-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.77
Rot. Bonds5

About 5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride

5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride (PubChem CID 120620370) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
PubChem CID120620370
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
SMILESCCOCCNC(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-3-16-7-6-14-12(15)11-8-10(13)5-4-9(11)2;/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15);1H
InChIKeyKXLUGXMXLSUIRQ-UHFFFAOYSA-N
XLogP1.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
CID 120620047
N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107023284
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
CID 82959703
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
CID 120618901
5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
CID 120632540
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622
4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
CID 167303302
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
CID 120622289

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride (CID 120620370) is 5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride is CCOCCNC(=O)c1cc(N)ccc1C.Cl.
What is the InChIKey of 5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride?
The InChIKey is KXLUGXMXLSUIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-3-16-7-6-14-12(15)11-8-10(13)5-4-9(11)2;/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride?
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120620370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).