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

C26H39NO — CID 24866276

IUPAC(1S,4S,5R,9R,13R)-N-cyclohexyl-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)NC5CCCCC5)CCC[C@@]4(C)C2=CC[C@@H]1C3
InChIInChI=1S/C26H39NO/c1-18-16-26-15-12-21-24(2,22(26)11-10-19(18)17-26)13-7-14-25(21,3)23(28)27-20-8-5-4-6-9-20/h11,19-21H,1,4-10,12-17H2,2-3H3,(H,27,28)/t19-,21+,24-,25-,26-/m1/s1
InChIKeyJPPHYTIPNSKBRZ-DCRZAOCRSA-N
MW381.60 g/mol
LogP6.32
Rot. Bonds2

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

(1S,4S,5R,9R,13R)-N-cyclohexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide (PubChem CID 24866276) has the molecular formula C26H39NO and a molecular weight of 381.60 g/mol. Its IUPAC name is (1S,4S,5R,9R,13R)-N-cyclohexyl-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-cyclohexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide
PubChem CID24866276
Molecular FormulaC26H39NO
Molecular Weight381.60 g/mol
Exact Mass381.30
IUPAC Name(1S,4S,5R,9R,13R)-N-cyclohexyl-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)NC5CCCCC5)CCC[C@@]4(C)C2=CC[C@@H]1C3
InChIInChI=1S/C26H39NO/c1-18-16-26-15-12-21-24(2,22(26)11-10-19(18)17-26)13-7-14-25(21,3)23(28)27-20-8-5-4-6-9-20/h11,19-21H,1,4-10,12-17H2,2-3H3,(H,27,28)/t19-,21+,24-,25-,26-/m1/s1
InChIKeyJPPHYTIPNSKBRZ-DCRZAOCRSA-N
XLogP6.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4S,5R,9R,13R)-N-cyclohexyl-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-cyclohexyl-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-cyclohexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide (CID 24866276) is (1S,4S,5R,9R,13R)-N-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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)NC5CCCCC5)CCC[C@@]4(C)C2=CC[C@@H]1C3.
What is the InChIKey of (1S,4S,5R,9R,13R)-N-cyclohexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide?
The InChIKey is JPPHYTIPNSKBRZ-DCRZAOCRSA-N. The full InChI is InChI=1S/C26H39NO/c1-18-16-26-15-12-21-24(2,22(26)11-10-19(18)17-26)13-7-14-25(21,3)23(28)27-20-8-5-4-6-9-20/h11,19-21H,1,4-10,12-17H2,2-3H3,(H,27,28)/t19-,21+,24-,25-,26-/m1/s1.
What are the key properties of (1S,4S,5R,9R,13R)-N-cyclohexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide?
(1S,4S,5R,9R,13R)-N-cyclohexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide has a molecular weight of 381.60 g/mol, XLogP of 6.32, 2 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-cyclohexyl-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxamide is sourced from PubChem (CID 24866276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).