N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide

C19H36N2O6 — CID 142462796

IUPACN-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide
SMILESCC(=O)CCCCC(=O)NCCCOCCOCCOCCCNC(C)=O
InChIInChI=1S/C19H36N2O6/c1-17(22)7-3-4-8-19(24)21-10-6-12-26-14-16-27-15-13-25-11-5-9-20-18(2)23/h3-16H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYJICZTSEDSFTKN-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.22
Rot. Bonds19

About N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide

N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide (PubChem CID 142462796) has the molecular formula C19H36N2O6 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide
PubChem CID142462796
Molecular FormulaC19H36N2O6
Molecular Weight388.51 g/mol
Exact Mass388.26
IUPAC NameN-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide
SMILESCC(=O)CCCCC(=O)NCCCOCCOCCOCCCNC(C)=O
InChIInChI=1S/C19H36N2O6/c1-17(22)7-3-4-8-19(24)21-10-6-12-26-14-16-27-15-13-25-11-5-9-20-18(2)23/h3-16H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYJICZTSEDSFTKN-UHFFFAOYSA-N
XLogP1.22
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.22
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

5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 129222312
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]butanamide
CID 121313484
2-[2-oxo-2-[3-[2-[2-[3-(18-oxononadecanoylamino)propoxy]ethoxy]ethoxy]propylamino]ethoxy]acetic acid
CID 122413582
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
N-(8-oxononyl)acetamide
CID 58114719
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
CID 123251408

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide?
The IUPAC name of N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide (CID 142462796) is N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide.
What is the SMILES notation for N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide?
The canonical SMILES for N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide is CC(=O)CCCCC(=O)NCCCOCCOCCOCCCNC(C)=O.
What is the InChIKey of N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide?
The InChIKey is YJICZTSEDSFTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O6/c1-17(22)7-3-4-8-19(24)21-10-6-12-26-14-16-27-15-13-25-11-5-9-20-18(2)23/h3-16H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide?
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide has a molecular weight of 388.51 g/mol, XLogP of 1.22, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide is sourced from PubChem (CID 142462796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).