3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C12H19ClN2O2 — CID 119502998

IUPAC3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCCOc1cccc(C(=O)NCCNC)c1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-3-16-11-6-4-5-10(9-11)12(15)14-8-7-13-2;/h4-6,9,13H,3,7-8H2,1-2H3,(H,14,15);1H
InChIKeyLMDBOYRNNBEYIT-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.46
Rot. Bonds6

About 3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride

3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119502998) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119502998
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCCOc1cccc(C(=O)NCCNC)c1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-3-16-11-6-4-5-10(9-11)12(15)14-8-7-13-2;/h4-6,9,13H,3,7-8H2,1-2H3,(H,14,15);1H
InChIKeyLMDBOYRNNBEYIT-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
N-(3-aminopropyl)-3-ethoxybenzamide;hydrochloride
CID 119407722
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575
2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid
CID 110495239
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119502998) is 3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CCOc1cccc(C(=O)NCCNC)c1.Cl.
What is the InChIKey of 3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is LMDBOYRNNBEYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-3-16-11-6-4-5-10(9-11)12(15)14-8-7-13-2;/h4-6,9,13H,3,7-8H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119502998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).