2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide

C13H20N2O3 — CID 120992441

IUPAC2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
SMILESCOCC(N)C(=O)NCc1ccc(C)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9-4-5-10(12(6-9)18-3)7-15-13(16)11(14)8-17-2/h4-6,11H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyZIWNQRQESFABTF-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.59
Rot. Bonds6

About 2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide

2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide (PubChem CID 120992441) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
PubChem CID120992441
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
SMILESCOCC(N)C(=O)NCc1ccc(C)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9-4-5-10(12(6-9)18-3)7-15-13(16)11(14)8-17-2/h4-6,11H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyZIWNQRQESFABTF-UHFFFAOYSA-N
XLogP0.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992363
(2S)-2-amino-N-[(2-methoxy-4-methylphenyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119337835
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
CID 119811330
2-amino-3-methoxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 120992488
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide
CID 83337824
2-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985304
N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119808697
2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120992179
2-[(2-methoxy-4-methylphenyl)methylamino]-2-oxoacetic acid
CID 67265253
2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride
CID 119956336
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 120985346
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide (CID 120992441) is 2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide is COCC(N)C(=O)NCc1ccc(C)cc1OC.
What is the InChIKey of 2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide?
The InChIKey is ZIWNQRQESFABTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-4-5-10(12(6-9)18-3)7-15-13(16)11(14)8-17-2/h4-6,11H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide?
2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 120992441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).