(4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide

C22H27NO — CID 15063946

IUPAC(4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide
SMILESC=C1CCC23CC[C@@H](C(=O)N(C)c4ccccc4)[C@@]2(C)C=C[C@]13C
InChIInChI=1S/C22H27NO/c1-16-10-12-22-13-11-18(21(22,3)15-14-20(16,22)2)19(24)23(4)17-8-6-5-7-9-17/h5-9,14-15,18H,1,10-13H2,2-4H3/t18-,20+,21+,22?/m0/s1
InChIKeyUJUWDMVBSZHPKL-JKCSXKQMSA-N
MW321.46 g/mol
LogP4.98
Rot. Bonds2

About (4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide

(4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide (PubChem CID 15063946) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is (4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide.

Molecular Properties

Compound Name(4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide
PubChem CID15063946
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name(4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide
SMILESC=C1CCC23CC[C@@H](C(=O)N(C)c4ccccc4)[C@@]2(C)C=C[C@]13C
InChIInChI=1S/C22H27NO/c1-16-10-12-22-13-11-18(21(22,3)15-14-20(16,22)2)19(24)23(4)17-8-6-5-7-9-17/h5-9,14-15,18H,1,10-13H2,2-4H3/t18-,20+,21+,22?/m0/s1
InChIKeyUJUWDMVBSZHPKL-JKCSXKQMSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide?
The IUPAC name of (4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide (CID 15063946) is (4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide.
What is the SMILES notation for (4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide?
The canonical SMILES for (4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide is C=C1CCC23CC[C@@H](C(=O)N(C)c4ccccc4)[C@@]2(C)C=C[C@]13C.
What is the InChIKey of (4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide?
The InChIKey is UJUWDMVBSZHPKL-JKCSXKQMSA-N. The full InChI is InChI=1S/C22H27NO/c1-16-10-12-22-13-11-18(21(22,3)15-14-20(16,22)2)19(24)23(4)17-8-6-5-7-9-17/h5-9,14-15,18H,1,10-13H2,2-4H3/t18-,20+,21+,22?/m0/s1.
What are the key properties of (4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide?
(4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide has a molecular weight of 321.46 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,8R)-N,5,8-trimethyl-9-methylidene-N-phenyltricyclo[6.3.0.01,5]undec-6-ene-4-carboxamide is sourced from PubChem (CID 15063946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).