4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide

C12H18N2O2 — CID 119503363

IUPAC4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1ccc(COC)cc1
InChIInChI=1S/C12H18N2O2/c1-13-7-8-14-12(15)11-5-3-10(4-6-11)9-16-2/h3-6,13H,7-9H2,1-2H3,(H,14,15)
InChIKeyXJSWPFBGZQQAAS-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.78
Rot. Bonds6

About 4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide

4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide (PubChem CID 119503363) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
PubChem CID119503363
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1ccc(COC)cc1
InChIInChI=1S/C12H18N2O2/c1-13-7-8-14-12(15)11-5-3-10(4-6-11)9-16-2/h3-6,13H,7-9H2,1-2H3,(H,14,15)
InChIKeyXJSWPFBGZQQAAS-UHFFFAOYSA-N
XLogP0.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.78
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

4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
N-[2-(cycloheptylamino)ethyl]-4-(methoxymethyl)benzamide
CID 119620956
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
CID 103767369
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide (CID 119503363) is 4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide is CNCCNC(=O)c1ccc(COC)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is XJSWPFBGZQQAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-7-8-14-12(15)11-5-3-10(4-6-11)9-16-2/h3-6,13H,7-9H2,1-2H3,(H,14,15).
What are the key properties of 4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide?
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 222.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 119503363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).