2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide

C13H20N2O3 — CID 81089691

IUPAC2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOCC(N)C(=O)NC(C)c1ccccc1OC
InChIInChI=1S/C13H20N2O3/c1-9(15-13(16)11(14)8-17-2)10-6-4-5-7-12(10)18-3/h4-7,9,11H,8,14H2,1-3H3,(H,15,16)
InChIKeyCADXUSMESXXLLY-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.85
Rot. Bonds6

About 2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide

2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 81089691) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
PubChem CID81089691
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOCC(N)C(=O)NC(C)c1ccccc1OC
InChIInChI=1S/C13H20N2O3/c1-9(15-13(16)11(14)8-17-2)10-6-4-5-7-12(10)18-3/h4-7,9,11H,8,14H2,1-3H3,(H,15,16)
InChIKeyCADXUSMESXXLLY-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride
CID 119955956
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81387858
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387150
2-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 65229535

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide (CID 81089691) is 2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide is COCC(N)C(=O)NC(C)c1ccccc1OC.
What is the InChIKey of 2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is CADXUSMESXXLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(15-13(16)11(14)8-17-2)10-6-4-5-7-12(10)18-3/h4-7,9,11H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide?
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.85, 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-[1-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 81089691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).