4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide

C30H59NO4 — CID 58070977

IUPAC4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
SMILESCCCCCCCCCCCCCCCC(=O)CCCOCCOCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C30H59NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28(32)20-18-24-34-26-27-35-25-23-31-29(33)21-22-30(2,3)4/h5-27H2,1-4H3,(H,31,33)
InChIKeyKCCWNHVOCMKCEB-UHFFFAOYSA-N
MW497.81 g/mol
LogP7.79
Rot. Bonds26

About 4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide

4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide (PubChem CID 58070977) has the molecular formula C30H59NO4 and a molecular weight of 497.81 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
PubChem CID58070977
Molecular FormulaC30H59NO4
Molecular Weight497.81 g/mol
Exact Mass497.44
IUPAC Name4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
SMILESCCCCCCCCCCCCCCCC(=O)CCCOCCOCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C30H59NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28(32)20-18-24-34-26-27-35-25-23-31-29(33)21-22-30(2,3)4/h5-27H2,1-4H3,(H,31,33)
InChIKeyKCCWNHVOCMKCEB-UHFFFAOYSA-N
XLogP7.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.81
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one
CID 163571556
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
CID 101129520
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
CID 129058822
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide?
The IUPAC name of 4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide (CID 58070977) is 4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide?
The canonical SMILES for 4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide is CCCCCCCCCCCCCCCC(=O)CCCOCCOCCNC(=O)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide?
The InChIKey is KCCWNHVOCMKCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28(32)20-18-24-34-26-27-35-25-23-31-29(33)21-22-30(2,3)4/h5-27H2,1-4H3,(H,31,33).
What are the key properties of 4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide?
4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide has a molecular weight of 497.81 g/mol, XLogP of 7.79, 26 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide is sourced from PubChem (CID 58070977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).