(1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one

C20H26N2O2 — CID 10936301

IUPAC(1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one
SMILESCCC(=O)N1C(=O)N(c2ccccc2)[C@@H]2[C@H]3CC[C@@](C)([C@@H]21)C3(C)C
InChIInChI=1S/C20H26N2O2/c1-5-15(23)22-17-16(14-11-12-20(17,4)19(14,2)3)21(18(22)24)13-9-7-6-8-10-13/h6-10,14,16-17H,5,11-12H2,1-4H3/t14-,16-,17-,20+/m1/s1
InChIKeySNZTXPVXKGGVLJ-OYRIPWCXSA-N
MW326.44 g/mol
LogP4.06
Rot. Bonds2

About (1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one

(1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one (PubChem CID 10936301) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one.

Molecular Properties

Compound Name(1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one
PubChem CID10936301
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one
SMILESCCC(=O)N1C(=O)N(c2ccccc2)[C@@H]2[C@H]3CC[C@@](C)([C@@H]21)C3(C)C
InChIInChI=1S/C20H26N2O2/c1-5-15(23)22-17-16(14-11-12-20(17,4)19(14,2)3)21(18(22)24)13-9-7-6-8-10-13/h6-10,14,16-17H,5,11-12H2,1-4H3/t14-,16-,17-,20+/m1/s1
InChIKeySNZTXPVXKGGVLJ-OYRIPWCXSA-N
XLogP4.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one 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 (1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one?
The IUPAC name of (1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one (CID 10936301) is (1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one.
What is the SMILES notation for (1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one?
The canonical SMILES for (1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one is CCC(=O)N1C(=O)N(c2ccccc2)[C@@H]2[C@H]3CC[C@@](C)([C@@H]21)C3(C)C.
What is the InChIKey of (1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one?
The InChIKey is SNZTXPVXKGGVLJ-OYRIPWCXSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-15(23)22-17-16(14-11-12-20(17,4)19(14,2)3)21(18(22)24)13-9-7-6-8-10-13/h6-10,14,16-17H,5,11-12H2,1-4H3/t14-,16-,17-,20+/m1/s1.
What are the key properties of (1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one?
(1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one has a molecular weight of 326.44 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-1,10,10-trimethyl-5-phenyl-3-propanoyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one is sourced from PubChem (CID 10936301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).