2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide

C14H20N4O5 — CID 155649739

IUPAC2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide
SMILES[N-]=[N+]=NCCOCCOCC(=O)NCCc1ccc(O)c(O)c1
InChIInChI=1S/C14H20N4O5/c15-18-17-5-6-22-7-8-23-10-14(21)16-4-3-11-1-2-12(19)13(20)9-11/h1-2,9,19-20H,3-8,10H2,(H,16,21)
InChIKeyCVNDGZYICXSNCK-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.10
Rot. Bonds11

About 2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide

2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide (PubChem CID 155649739) has the molecular formula C14H20N4O5 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide
PubChem CID155649739
Molecular FormulaC14H20N4O5
Molecular Weight324.34 g/mol
Exact Mass324.14
IUPAC Name2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide
SMILES[N-]=[N+]=NCCOCCOCC(=O)NCCc1ccc(O)c(O)c1
InChIInChI=1S/C14H20N4O5/c15-18-17-5-6-22-7-8-23-10-14(21)16-4-3-11-1-2-12(19)13(20)9-11/h1-2,9,19-20H,3-8,10H2,(H,16,21)
InChIKeyCVNDGZYICXSNCK-UHFFFAOYSA-N
XLogP1.10
TPSA136.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[[(2R)-2-[[(2S)-2-acetamido-4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid
CID 90967084
(3S)-3-[[(2R)-2-[[(2S)-2-acetamido-4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid
CID 162010899
N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methoxypropanamide
CID 90161790
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]-N-[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 155633708
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate
CID 16723228
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid
CID 166868754
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide
CID 69294862
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,4-bis[(2-bromoacetyl)amino]benzamide
CID 155445623
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 122159315
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide (CID 155649739) is 2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide is [N-]=[N+]=NCCOCCOCC(=O)NCCc1ccc(O)c(O)c1.
What is the InChIKey of 2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide?
The InChIKey is CVNDGZYICXSNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5/c15-18-17-5-6-22-7-8-23-10-14(21)16-4-3-11-1-2-12(19)13(20)9-11/h1-2,9,19-20H,3-8,10H2,(H,16,21).
What are the key properties of 2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide?
2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide has a molecular weight of 324.34 g/mol, XLogP of 1.10, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-azidoethoxy)ethoxy]-N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 155649739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).