(1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide

C26H41NO — CID 24866274

IUPAC(1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide
SMILESC=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)NCCCCCC)CCC[C@@]4(C)C2=CC[C@@H]1C3
InChIInChI=1S/C26H41NO/c1-5-6-7-8-16-27-23(28)25(4)14-9-13-24(3)21(25)12-15-26-17-19(2)20(18-26)10-11-22(24)26/h11,20-21H,2,5-10,12-18H2,1,3-4H3,(H,27,28)/t20-,21+,24-,25-,26-/m1/s1
InChIKeyLNDVJHDCSRDYOL-HJNBYUNSSA-N
MW383.62 g/mol
LogP6.57
Rot. Bonds6

About (1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide

(1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide (PubChem CID 24866274) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is (1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide.

Molecular Properties

Compound Name(1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide
PubChem CID24866274
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name(1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide
SMILESC=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)NCCCCCC)CCC[C@@]4(C)C2=CC[C@@H]1C3
InChIInChI=1S/C26H41NO/c1-5-6-7-8-16-27-23(28)25(4)14-9-13-24(3)21(25)12-15-26-17-19(2)20(18-26)10-11-22(24)26/h11,20-21H,2,5-10,12-18H2,1,3-4H3,(H,27,28)/t20-,21+,24-,25-,26-/m1/s1
InChIKeyLNDVJHDCSRDYOL-HJNBYUNSSA-N
XLogP6.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide?
The IUPAC name of (1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide (CID 24866274) is (1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide.
What is the SMILES notation for (1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide?
The canonical SMILES for (1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide is C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)NCCCCCC)CCC[C@@]4(C)C2=CC[C@@H]1C3.
What is the InChIKey of (1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide?
The InChIKey is LNDVJHDCSRDYOL-HJNBYUNSSA-N. The full InChI is InChI=1S/C26H41NO/c1-5-6-7-8-16-27-23(28)25(4)14-9-13-24(3)21(25)12-15-26-17-19(2)20(18-26)10-11-22(24)26/h11,20-21H,2,5-10,12-18H2,1,3-4H3,(H,27,28)/t20-,21+,24-,25-,26-/m1/s1.
What are the key properties of (1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide?
(1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide has a molecular weight of 383.62 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R,9R,13R)-N-hexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide is sourced from PubChem (CID 24866274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).