2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide

C34H68N2O2 — CID 56842389

IUPAC2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide
SMILESCCCCCCCCC(CCCCCC)C(=O)NCCNC(=O)C(CCCCCC)CCCCCCCC
InChIInChI=1S/C34H68N2O2/c1-5-9-13-17-19-23-27-31(25-21-15-11-7-3)33(37)35-29-30-36-34(38)32(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h31-32H,5-30H2,1-4H3,(H,35,37)(H,36,38)
InChIKeyRMORRUPNCCULDO-UHFFFAOYSA-N
MW536.93 g/mol
LogP9.89
Rot. Bonds29

About 2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide

2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide (PubChem CID 56842389) has the molecular formula C34H68N2O2 and a molecular weight of 536.93 g/mol. Its IUPAC name is 2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide.

Molecular Properties

Compound Name2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide
PubChem CID56842389
Molecular FormulaC34H68N2O2
Molecular Weight536.93 g/mol
Exact Mass536.53
IUPAC Name2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide
SMILESCCCCCCCCC(CCCCCC)C(=O)NCCNC(=O)C(CCCCCC)CCCCCCCC
InChIInChI=1S/C34H68N2O2/c1-5-9-13-17-19-23-27-31(25-21-15-11-7-3)33(37)35-29-30-36-34(38)32(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h31-32H,5-30H2,1-4H3,(H,35,37)(H,36,38)
InChIKeyRMORRUPNCCULDO-UHFFFAOYSA-N
XLogP9.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.93
LogP ≤ 59.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(3S,6S)-6-(3-aminopropyl)-13-(7-methylnonyl)-3-propan-2-yl-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone
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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide?
The IUPAC name of 2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide (CID 56842389) is 2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide.
What is the SMILES notation for 2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide?
The canonical SMILES for 2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide is CCCCCCCCC(CCCCCC)C(=O)NCCNC(=O)C(CCCCCC)CCCCCCCC.
What is the InChIKey of 2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide?
The InChIKey is RMORRUPNCCULDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N2O2/c1-5-9-13-17-19-23-27-31(25-21-15-11-7-3)33(37)35-29-30-36-34(38)32(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h31-32H,5-30H2,1-4H3,(H,35,37)(H,36,38).
What are the key properties of 2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide?
2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide has a molecular weight of 536.93 g/mol, XLogP of 9.89, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-N-[2-(2-hexyldecanoylamino)ethyl]decanamide is sourced from PubChem (CID 56842389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).