N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide

C24H49NO5 — CID 176704892

IUPACN-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide
SMILESCCCCC(CCCC)(CCCC)NC(=O)COCCOCCOCCOCCC
InChIInChI=1S/C24H49NO5/c1-5-9-12-24(13-10-6-2,14-11-7-3)25-23(26)22-30-21-20-29-19-18-28-17-16-27-15-8-4/h5-22H2,1-4H3,(H,25,26)
InChIKeyQLWUYTQOPPCAFU-UHFFFAOYSA-N
MW431.66 g/mol
LogP4.89
Rot. Bonds23

About N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide

N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide (PubChem CID 176704892) has the molecular formula C24H49NO5 and a molecular weight of 431.66 g/mol. Its IUPAC name is N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide
PubChem CID176704892
Molecular FormulaC24H49NO5
Molecular Weight431.66 g/mol
Exact Mass431.36
IUPAC NameN-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide
SMILESCCCCC(CCCC)(CCCC)NC(=O)COCCOCCOCCOCCC
InChIInChI=1S/C24H49NO5/c1-5-9-12-24(13-10-6-2,14-11-7-3)25-23(26)22-30-21-20-29-19-18-28-17-16-27-15-8-4/h5-22H2,1-4H3,(H,25,26)
InChIKeyQLWUYTQOPPCAFU-UHFFFAOYSA-N
XLogP4.89
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.66
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide?
The IUPAC name of N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide (CID 176704892) is N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide?
The canonical SMILES for N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide is CCCCC(CCCC)(CCCC)NC(=O)COCCOCCOCCOCCC.
What is the InChIKey of N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide?
The InChIKey is QLWUYTQOPPCAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO5/c1-5-9-12-24(13-10-6-2,14-11-7-3)25-23(26)22-30-21-20-29-19-18-28-17-16-27-15-8-4/h5-22H2,1-4H3,(H,25,26).
What are the key properties of N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide?
N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide has a molecular weight of 431.66 g/mol, XLogP of 4.89, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butylnonan-5-yl)-2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]acetamide is sourced from PubChem (CID 176704892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).