2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene

C24H40N2O — CID 143180872

IUPAC2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene
SMILESCC1=CC=C2CCCCCCC2=CC1.CCC1CCCCC1NCC(N)=O
InChIInChI=1S/C14H20.C10H20N2O/c1-12-8-10-13-6-4-2-3-5-7-14(13)11-9-12;1-2-8-5-3-4-6-9(8)12-7-10(11)13/h8,10-11H,2-7,9H2,1H3;8-9,12H,2-7H2,1H3,(H2,11,13)
InChIKeyULHXHJOKQBDMNM-UHFFFAOYSA-N
MW372.60 g/mol
LogP5.57
Rot. Bonds4

About 2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene

2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene (PubChem CID 143180872) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene
PubChem CID143180872
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene
SMILESCC1=CC=C2CCCCCCC2=CC1.CCC1CCCCC1NCC(N)=O
InChIInChI=1S/C14H20.C10H20N2O/c1-12-8-10-13-6-4-2-3-5-7-14(13)11-9-12;1-2-8-5-3-4-6-9(8)12-7-10(11)13/h8,10-11H,2-7,9H2,1H3;8-9,12H,2-7H2,1H3,(H2,11,13)
InChIKeyULHXHJOKQBDMNM-UHFFFAOYSA-N
XLogP5.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene?
The IUPAC name of 2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene (CID 143180872) is 2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene?
The canonical SMILES for 2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene is CC1=CC=C2CCCCCCC2=CC1.CCC1CCCCC1NCC(N)=O.
What is the InChIKey of 2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene?
The InChIKey is ULHXHJOKQBDMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C10H20N2O/c1-12-8-10-13-6-4-2-3-5-7-14(13)11-9-12;1-2-8-5-3-4-6-9(8)12-7-10(11)13/h8,10-11H,2-7,9H2,1H3;8-9,12H,2-7H2,1H3,(H2,11,13).
What are the key properties of 2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene?
2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene has a molecular weight of 372.60 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)amino]acetamide;11-methylbicyclo[6.5.0]trideca-1(13),8,10-triene is sourced from PubChem (CID 143180872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).