2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide

C26H41NO — CID 138614261

IUPAC2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide
SMILESCCCC1=C(C)C2=C(CC1)C(CCC)(CCNC(=O)C1=C(C)CCCC1)CC2
InChIInChI=1S/C26H41NO/c1-5-9-21-12-13-24-23(20(21)4)14-16-26(24,15-6-2)17-18-27-25(28)22-11-8-7-10-19(22)3/h5-18H2,1-4H3,(H,27,28)
InChIKeyLXYQQDRAIVRRHV-UHFFFAOYSA-N
MW383.62 g/mol
LogP7.17
Rot. Bonds8

About 2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide

2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide (PubChem CID 138614261) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide
PubChem CID138614261
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide
SMILESCCCC1=C(C)C2=C(CC1)C(CCC)(CCNC(=O)C1=C(C)CCCC1)CC2
InChIInChI=1S/C26H41NO/c1-5-9-21-12-13-24-23(20(21)4)14-16-26(24,15-6-2)17-18-27-25(28)22-11-8-7-10-19(22)3/h5-18H2,1-4H3,(H,27,28)
InChIKeyLXYQQDRAIVRRHV-UHFFFAOYSA-N
XLogP7.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide (CID 138614261) is 2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide is CCCC1=C(C)C2=C(CC1)C(CCC)(CCNC(=O)C1=C(C)CCCC1)CC2.
What is the InChIKey of 2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide?
The InChIKey is LXYQQDRAIVRRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO/c1-5-9-21-12-13-24-23(20(21)4)14-16-26(24,15-6-2)17-18-27-25(28)22-11-8-7-10-19(22)3/h5-18H2,1-4H3,(H,27,28).
What are the key properties of 2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide?
2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide has a molecular weight of 383.62 g/mol, XLogP of 7.17, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methyl-1,5-dipropyl-2,3,6,7-tetrahydroinden-1-yl)ethyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 138614261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).