3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide

C28H55N3O11 — CID 172626037

IUPAC3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide
SMILESCNCCCCC(C=O)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(C)=O
InChIInChI=1S/C28H55N3O11/c1-26(33)30-8-10-36-12-14-38-16-18-40-20-22-42-24-23-41-21-19-39-17-15-37-13-11-35-9-6-28(34)31-27(25-32)5-3-4-7-29-2/h25,27,29H,3-24H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyINJKJWVPHAOGER-UHFFFAOYSA-N
MW609.76 g/mol
LogP-0.28
Rot. Bonds34

About 3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide

3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide (PubChem CID 172626037) has the molecular formula C28H55N3O11 and a molecular weight of 609.76 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide
PubChem CID172626037
Molecular FormulaC28H55N3O11
Molecular Weight609.76 g/mol
Exact Mass609.38
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide
SMILESCNCCCCC(C=O)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(C)=O
InChIInChI=1S/C28H55N3O11/c1-26(33)30-8-10-36-12-14-38-16-18-40-20-22-42-24-23-41-21-19-39-17-15-37-13-11-35-9-6-28(34)31-27(25-32)5-3-4-7-29-2/h25,27,29H,3-24H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyINJKJWVPHAOGER-UHFFFAOYSA-N
XLogP-0.28
TPSA161.14 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.76
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-acetamidoethoxy)ethoxy]-N-[(5S)-5-[[2-[2-[[5-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-3-[2-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]ethyl]pentyl]amino]-2-oxoethoxy]acetyl]amino]-6-oxohexyl]propanamide
CID 91545548
[3-[[5-[[5-[[5-[(2-methyl-3-nitrosobutan-2-yl)amino]-3-[2-[(2-methyl-3-nitrosobutan-2-yl)amino]ethyl]pentyl]amino]-5-oxopentanoyl]amino]-6-oxohexyl]amino]-3-oxopropyl] N-[2-[2-[2-[2-[[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 91293644
N,3-dimethyl-N-[2-[2-[2-[2-[3-[[2-[[5-(methylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide
CID 166997106
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
6-amino-2-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 176691700
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide
CID 166714983
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide (CID 172626037) is 3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide is CNCCCCC(C=O)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(C)=O.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide?
The InChIKey is INJKJWVPHAOGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55N3O11/c1-26(33)30-8-10-36-12-14-38-16-18-40-20-22-42-24-23-41-21-19-39-17-15-37-13-11-35-9-6-28(34)31-27(25-32)5-3-4-7-29-2/h25,27,29H,3-24H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide?
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide has a molecular weight of 609.76 g/mol, XLogP of -0.28, 34 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[6-(methylamino)-1-oxohexan-2-yl]propanamide is sourced from PubChem (CID 172626037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).