2-[2-(octadecanoylamino)ethyl]decanediamide

C30H59N3O3 — CID 150830211

IUPAC2-[2-(octadecanoylamino)ethyl]decanediamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCC(CCCCCCCC(N)=O)C(N)=O
InChIInChI=1S/C30H59N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24-29(35)33-26-25-27(30(32)36)22-19-16-15-17-20-23-28(31)34/h27H,2-26H2,1H3,(H2,31,34)(H2,32,36)(H,33,35)
InChIKeyKLURCSAHGBFWSV-UHFFFAOYSA-N
MW509.82 g/mol
LogP7.07
Rot. Bonds28

About 2-[2-(octadecanoylamino)ethyl]decanediamide

2-[2-(octadecanoylamino)ethyl]decanediamide (PubChem CID 150830211) has the molecular formula C30H59N3O3 and a molecular weight of 509.82 g/mol. Its IUPAC name is 2-[2-(octadecanoylamino)ethyl]decanediamide.

Molecular Properties

Compound Name2-[2-(octadecanoylamino)ethyl]decanediamide
PubChem CID150830211
Molecular FormulaC30H59N3O3
Molecular Weight509.82 g/mol
Exact Mass509.46
IUPAC Name2-[2-(octadecanoylamino)ethyl]decanediamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCC(CCCCCCCC(N)=O)C(N)=O
InChIInChI=1S/C30H59N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24-29(35)33-26-25-27(30(32)36)22-19-16-15-17-20-23-28(31)34/h27H,2-26H2,1H3,(H2,31,34)(H2,32,36)(H,33,35)
InChIKeyKLURCSAHGBFWSV-UHFFFAOYSA-N
XLogP7.07
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.82
LogP ≤ 57.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(3-carbamoyltridecyl)docos-13-enamide
CID 175080383
2-[2-(octadecanoylamino)ethyl]docosanoic acid
CID 23189077
2-undecylhexanediamide
CID 174629940
N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
22-(docosanoylamino)docosanamide
CID 90926402
N'-octylhexanediamide
CID 18377759
N-(3-amino-3-oxopropyl)octadecanamide
CID 57257667
2-ethylhexadecanamide;octadecanamide
CID 159948815
2-ethyloctadecanamide;hexadecanamide
CID 174921591
2-propylhexadecanediamide
CID 142717306
2-dodecylnonadecanamide
CID 175503182

Frequently Asked Questions

What is the IUPAC name of 2-[2-(octadecanoylamino)ethyl]decanediamide?
The IUPAC name of 2-[2-(octadecanoylamino)ethyl]decanediamide (CID 150830211) is 2-[2-(octadecanoylamino)ethyl]decanediamide.
What is the SMILES notation for 2-[2-(octadecanoylamino)ethyl]decanediamide?
The canonical SMILES for 2-[2-(octadecanoylamino)ethyl]decanediamide is CCCCCCCCCCCCCCCCCC(=O)NCCC(CCCCCCCC(N)=O)C(N)=O.
What is the InChIKey of 2-[2-(octadecanoylamino)ethyl]decanediamide?
The InChIKey is KLURCSAHGBFWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24-29(35)33-26-25-27(30(32)36)22-19-16-15-17-20-23-28(31)34/h27H,2-26H2,1H3,(H2,31,34)(H2,32,36)(H,33,35).
What are the key properties of 2-[2-(octadecanoylamino)ethyl]decanediamide?
2-[2-(octadecanoylamino)ethyl]decanediamide has a molecular weight of 509.82 g/mol, XLogP of 7.07, 28 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(octadecanoylamino)ethyl]decanediamide is sourced from PubChem (CID 150830211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).