(1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one

C24H26N2O2 — CID 25215771

IUPAC(1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one
SMILESCC1(C)[C@@H]2CC[C@]13C(=O)N(c1ccccc1)N(C(=O)Cc1ccccc1)[C@@H]3C2
InChIInChI=1S/C24H26N2O2/c1-23(2)18-13-14-24(23)20(16-18)26(21(27)15-17-9-5-3-6-10-17)25(22(24)28)19-11-7-4-8-12-19/h3-12,18,20H,13-16H2,1-2H3/t18-,20-,24+/m1/s1
InChIKeyJHGIMDVJWXQFGZ-FPGHNAPASA-N
MW374.48 g/mol
LogP4.21
Rot. Bonds3

About (1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one

(1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one (PubChem CID 25215771) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one.

Molecular Properties

Compound Name(1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one
PubChem CID25215771
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one
SMILESCC1(C)[C@@H]2CC[C@]13C(=O)N(c1ccccc1)N(C(=O)Cc1ccccc1)[C@@H]3C2
InChIInChI=1S/C24H26N2O2/c1-23(2)18-13-14-24(23)20(16-18)26(21(27)15-17-9-5-3-6-10-17)25(22(24)28)19-11-7-4-8-12-19/h3-12,18,20H,13-16H2,1-2H3/t18-,20-,24+/m1/s1
InChIKeyJHGIMDVJWXQFGZ-FPGHNAPASA-N
XLogP4.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one?
The IUPAC name of (1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one (CID 25215771) is (1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one.
What is the SMILES notation for (1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one?
The canonical SMILES for (1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one is CC1(C)[C@@H]2CC[C@]13C(=O)N(c1ccccc1)N(C(=O)Cc1ccccc1)[C@@H]3C2.
What is the InChIKey of (1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one?
The InChIKey is JHGIMDVJWXQFGZ-FPGHNAPASA-N. The full InChI is InChI=1S/C24H26N2O2/c1-23(2)18-13-14-24(23)20(16-18)26(21(27)15-17-9-5-3-6-10-17)25(22(24)28)19-11-7-4-8-12-19/h3-12,18,20H,13-16H2,1-2H3/t18-,20-,24+/m1/s1.
What are the key properties of (1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one?
(1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one has a molecular weight of 374.48 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7R)-10,10-dimethyl-3-phenyl-4-(2-phenylacetyl)-3,4-diazatricyclo[5.2.1.01,5]decan-2-one is sourced from PubChem (CID 25215771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).