N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide

C13H20N2O2 — CID 55096555

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NCc1ccccc1COC
InChIInChI=1S/C13H20N2O2/c1-10(14-2)13(16)15-8-11-6-4-5-7-12(11)9-17-3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyZMJYCKWNAJQWCC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.06
Rot. Bonds6

About N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide

N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide (PubChem CID 55096555) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
PubChem CID55096555
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NCc1ccccc1COC
InChIInChI=1S/C13H20N2O2/c1-10(14-2)13(16)15-8-11-6-4-5-7-12(11)9-17-3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyZMJYCKWNAJQWCC-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methoxymethyl)phenyl]-2-(methylamino)propanamide
CID 62637466
2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide
CID 65229949
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 60924991
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 62473216
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
CID 33387256
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride
CID 119956519
N-[[2-(methoxymethyl)phenyl]methyl]but-2-enamide
CID 112725954
1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454390
2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate
CID 79346129

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide (CID 55096555) is N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide is CNC(C)C(=O)NCc1ccccc1COC.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide?
The InChIKey is ZMJYCKWNAJQWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(14-2)13(16)15-8-11-6-4-5-7-12(11)9-17-3/h4-7,10,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide?
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide is sourced from PubChem (CID 55096555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).