3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide

C13H20N2O5 — CID 106111011

IUPAC3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(CN)OC)cc(OC)c1OC
InChIInChI=1S/C13H20N2O5/c1-17-9-5-8(6-10(18-2)12(9)20-4)15-13(16)11(7-14)19-3/h5-6,11H,7,14H2,1-4H3,(H,15,16)
InChIKeyGQZOHMCBUUWAJU-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.62
Rot. Bonds7

About 3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide

3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 106111011) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID106111011
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(CN)OC)cc(OC)c1OC
InChIInChI=1S/C13H20N2O5/c1-17-9-5-8(6-10(18-2)12(9)20-4)15-13(16)11(7-14)19-3/h5-6,11H,7,14H2,1-4H3,(H,15,16)
InChIKeyGQZOHMCBUUWAJU-UHFFFAOYSA-N
XLogP0.62
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(3,4-dimethoxyphenyl)-2-methoxypropanamide
CID 114144862
3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
CID 114145085
3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
CID 106113513
2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 24710340
4-[(3-amino-2-methoxypropanoyl)amino]benzamide
CID 106111050
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440
N-(3-acetylphenyl)-3-amino-2-methoxypropanamide
CID 106112568
4-[(3-amino-2-methoxypropanoyl)amino]-5-chloro-2-methoxybenzoic acid
CID 106112325
3-amino-N-[3-(hydroxymethyl)phenyl]-2-methoxypropanamide
CID 106111620
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029
2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 79346258
2,3-dibromo-N-[(3,4,5-trimethoxyphenyl)carbamoyl]butanamide
CID 21423279

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide (CID 106111011) is 3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)C(CN)OC)cc(OC)c1OC.
What is the InChIKey of 3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is GQZOHMCBUUWAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-17-9-5-8(6-10(18-2)12(9)20-4)15-13(16)11(7-14)19-3/h5-6,11H,7,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide?
3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 284.31 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 106111011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).