2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide

C21H33N3O9 — CID 167492377

IUPAC2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
SMILESNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COc1ccc(CO)cc1
InChIInChI=1S/C21H33N3O9/c22-19(26)14-31-11-9-29-7-5-23-20(27)15-32-12-10-30-8-6-24-21(28)16-33-18-3-1-17(13-25)2-4-18/h1-4,25H,5-16H2,(H2,22,26)(H,23,27)(H,24,28)
InChIKeyKYLKQYVKQKMWHY-UHFFFAOYSA-N
MW471.51 g/mol
LogP-1.66
Rot. Bonds20

About 2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide

2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide (PubChem CID 167492377) has the molecular formula C21H33N3O9 and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
PubChem CID167492377
Molecular FormulaC21H33N3O9
Molecular Weight471.51 g/mol
Exact Mass471.22
IUPAC Name2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
SMILESNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COc1ccc(CO)cc1
InChIInChI=1S/C21H33N3O9/c22-19(26)14-31-11-9-29-7-5-23-20(27)15-32-12-10-30-8-6-24-21(28)16-33-18-3-1-17(13-25)2-4-18/h1-4,25H,5-16H2,(H2,22,26)(H,23,27)(H,24,28)
InChIKeyKYLKQYVKQKMWHY-UHFFFAOYSA-N
XLogP-1.66
TPSA167.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 102232549
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561616
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide
CID 103819854
2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 114464873
2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide
CID 123291674
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
CID 122142658
2-[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethoxy]acetic acid
CID 106234757
2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide
CID 99818572
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845463
2-[2-[[2-(2-carbamothioylphenoxy)acetyl]amino]ethoxy]acetamide
CID 106237128

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide (CID 167492377) is 2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide is NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COc1ccc(CO)cc1.
What is the InChIKey of 2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide?
The InChIKey is KYLKQYVKQKMWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O9/c22-19(26)14-31-11-9-29-7-5-23-20(27)15-32-12-10-30-8-6-24-21(28)16-33-18-3-1-17(13-25)2-4-18/h1-4,25H,5-16H2,(H2,22,26)(H,23,27)(H,24,28).
What are the key properties of 2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide?
2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide has a molecular weight of 471.51 g/mol, XLogP of -1.66, 20 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 167492377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).