3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide

C13H20N2O2 — CID 106113152

IUPAC3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCc1ccccc1C
InChIInChI=1S/C13H20N2O2/c1-10-5-3-4-6-11(10)7-8-15-13(16)12(9-14)17-2/h3-6,12H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyWFGAKCJNJSOLBR-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.63
Rot. Bonds6

About 3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide

3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 106113152) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID106113152
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCc1ccccc1C
InChIInChI=1S/C13H20N2O2/c1-10-5-3-4-6-11(10)7-8-15-13(16)12(9-14)17-2/h3-6,12H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyWFGAKCJNJSOLBR-UHFFFAOYSA-N
XLogP0.63
TPSA64.35 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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 106113948
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
CID 71896107
3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79763048
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 106112421
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007647
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79756137

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide (CID 106113152) is 3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide is COC(CN)C(=O)NCCc1ccccc1C.
What is the InChIKey of 3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is WFGAKCJNJSOLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-5-3-4-6-11(10)7-8-15-13(16)12(9-14)17-2/h3-6,12H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide?
3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 106113152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).