2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide

C14H22N2O5 — CID 120992852

IUPAC2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H22N2O5/c1-18-9-13(15)14(17)16-4-5-21-12-7-10(19-2)6-11(8-12)20-3/h6-8,13H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyGWFPEDMTJWJJKL-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.17
Rot. Bonds9

About 2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide

2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide (PubChem CID 120992852) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
PubChem CID120992852
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H22N2O5/c1-18-9-13(15)14(17)16-4-5-21-12-7-10(19-2)6-11(8-12)20-3/h6-8,13H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyGWFPEDMTJWJJKL-UHFFFAOYSA-N
XLogP0.17
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
3-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methylbutanamide
CID 120502387
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608
4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
CID 120564115
2-amino-3-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propanamide
CID 120991939
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride
CID 119344811
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119820871
(2S)-2-amino-N-[3-(3-methoxyphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119331581
N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119822601

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide (CID 120992852) is 2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide is COCC(N)C(=O)NCCOc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide?
The InChIKey is GWFPEDMTJWJJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-18-9-13(15)14(17)16-4-5-21-12-7-10(19-2)6-11(8-12)20-3/h6-8,13H,4-5,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide?
2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide has a molecular weight of 298.34 g/mol, XLogP of 0.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 120992852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).