N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide

C12H18N2O2 — CID 104547715

IUPACN-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)N(C)OC
InChIInChI=1S/C12H18N2O2/c1-13-9-8-10-6-4-5-7-11(10)12(15)14(2)16-3/h4-7,13H,8-9H2,1-3H3
InChIKeyXOSPTZNJBNPJBI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.08
Rot. Bonds5

About N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide

N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide (PubChem CID 104547715) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
PubChem CID104547715
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)N(C)OC
InChIInChI=1S/C12H18N2O2/c1-13-9-8-10-6-4-5-7-11(10)12(15)14(2)16-3/h4-7,13H,8-9H2,1-3H3
InChIKeyXOSPTZNJBNPJBI-UHFFFAOYSA-N
XLogP1.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
2-(aminomethyl)-N-methoxy-N-methylbenzamide
CID 82505220
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
N-(2-hydroxyethyl)-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 113425674
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-[methyl-[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104547839
N-methyl-2-[2-(methylamino)ethyl]-N-(2-methylsulfanylethyl)benzamide
CID 113425695
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
N-(2-methoxy-2-methylpropyl)-2-[2-(methylamino)ethyl]benzamide
CID 104761286
N-methyl-2-[2-(methylamino)ethyl]-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104547733
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide (CID 104547715) is N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide is CNCCc1ccccc1C(=O)N(C)OC.
What is the InChIKey of N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is XOSPTZNJBNPJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-9-8-10-6-4-5-7-11(10)12(15)14(2)16-3/h4-7,13H,8-9H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide?
N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 104547715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).