3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide

C13H20N2O4 — CID 106111327

IUPAC3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide
SMILESCOc1ccc(CNC(=O)C(CN)OC)cc1OC
InChIInChI=1S/C13H20N2O4/c1-17-10-5-4-9(6-11(10)18-2)8-15-13(16)12(7-14)19-3/h4-6,12H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyMYIUZIXHOODCPB-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.29
Rot. Bonds7

About 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide

3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide (PubChem CID 106111327) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide
PubChem CID106111327
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide
SMILESCOc1ccc(CNC(=O)C(CN)OC)cc1OC
InChIInChI=1S/C13H20N2O4/c1-17-10-5-4-9(6-11(10)18-2)8-15-13(16)12(7-14)19-3/h4-6,12H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyMYIUZIXHOODCPB-UHFFFAOYSA-N
XLogP0.29
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 80542148
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
CID 114144862
[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl] carbamate
CID 174818507
3-[[(3-amino-2-methoxypropanoyl)amino]methyl]benzoic acid
CID 114145034
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide
CID 62473722
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylpropanamide
CID 94025525
(2S,3R)-2-(carbamoylamino)-N-[(3,4-dimethoxyphenyl)methyl]-3-methylpentanamide
CID 2126900
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide (CID 106111327) is 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide is COc1ccc(CNC(=O)C(CN)OC)cc1OC.
What is the InChIKey of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide?
The InChIKey is MYIUZIXHOODCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-17-10-5-4-9(6-11(10)18-2)8-15-13(16)12(7-14)19-3/h4-6,12H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide?
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide has a molecular weight of 268.31 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 106111327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).