N'-decyl-2-ethyl-4-methylpentanediamide

C18H36N2O2 — CID 23522615

IUPACN'-decyl-2-ethyl-4-methylpentanediamide
SMILESCCCCCCCCCCNC(=O)C(C)CC(CC)C(N)=O
InChIInChI=1S/C18H36N2O2/c1-4-6-7-8-9-10-11-12-13-20-18(22)15(3)14-16(5-2)17(19)21/h15-16H,4-14H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyKGVBAIXOHSEICO-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.78
Rot. Bonds14

About N'-decyl-2-ethyl-4-methylpentanediamide

N'-decyl-2-ethyl-4-methylpentanediamide (PubChem CID 23522615) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N'-decyl-2-ethyl-4-methylpentanediamide.

Molecular Properties

Compound NameN'-decyl-2-ethyl-4-methylpentanediamide
PubChem CID23522615
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN'-decyl-2-ethyl-4-methylpentanediamide
SMILESCCCCCCCCCCNC(=O)C(C)CC(CC)C(N)=O
InChIInChI=1S/C18H36N2O2/c1-4-6-7-8-9-10-11-12-13-20-18(22)15(3)14-16(5-2)17(19)21/h15-16H,4-14H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyKGVBAIXOHSEICO-UHFFFAOYSA-N
XLogP3.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of N'-decyl-2-ethyl-4-methylpentanediamide?
The IUPAC name of N'-decyl-2-ethyl-4-methylpentanediamide (CID 23522615) is N'-decyl-2-ethyl-4-methylpentanediamide.
What is the SMILES notation for N'-decyl-2-ethyl-4-methylpentanediamide?
The canonical SMILES for N'-decyl-2-ethyl-4-methylpentanediamide is CCCCCCCCCCNC(=O)C(C)CC(CC)C(N)=O.
What is the InChIKey of N'-decyl-2-ethyl-4-methylpentanediamide?
The InChIKey is KGVBAIXOHSEICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-4-6-7-8-9-10-11-12-13-20-18(22)15(3)14-16(5-2)17(19)21/h15-16H,4-14H2,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of N'-decyl-2-ethyl-4-methylpentanediamide?
N'-decyl-2-ethyl-4-methylpentanediamide has a molecular weight of 312.50 g/mol, XLogP of 3.78, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-decyl-2-ethyl-4-methylpentanediamide is sourced from PubChem (CID 23522615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).