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

C13H20N2O3 — CID 120985316

IUPAC2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
SMILESCCOc1ccc(CNC(=O)C(N)COC)cc1
InChIInChI=1S/C13H20N2O3/c1-3-18-11-6-4-10(5-7-11)8-15-13(16)12(14)9-17-2/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyYIMPXGQUEVBNRF-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.68
Rot. Bonds7

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

2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide (PubChem CID 120985316) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
PubChem CID120985316
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
SMILESCCOc1ccc(CNC(=O)C(N)COC)cc1
InChIInChI=1S/C13H20N2O3/c1-3-18-11-6-4-10(5-7-11)8-15-13(16)12(14)9-17-2/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyYIMPXGQUEVBNRF-UHFFFAOYSA-N
XLogP0.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methoxypropanamide
CID 120983914
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983522
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide (CID 120985316) is 2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide is CCOc1ccc(CNC(=O)C(N)COC)cc1.
What is the InChIKey of 2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide?
The InChIKey is YIMPXGQUEVBNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-18-11-6-4-10(5-7-11)8-15-13(16)12(14)9-17-2/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide?
2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 120985316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).