(1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione

C18H22N2O2 — CID 101099041

IUPAC(1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione
SMILESCC1(C)[C@@H]2C[C@H]3C(=O)N(c4ccccc4)C(=O)N[C@@]3(C)[C@H]1C2
InChIInChI=1S/C18H22N2O2/c1-17(2)11-9-13-15(21)20(12-7-5-4-6-8-12)16(22)19-18(13,3)14(17)10-11/h4-8,11,13-14H,9-10H2,1-3H3,(H,19,22)/t11-,13+,14+,18-/m1/s1
InChIKeyIQIDGBWLYWIPOW-ZLJVHPLZSA-N
MW298.39 g/mol
LogP3.18
Rot. Bonds1

About (1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione

(1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione (PubChem CID 101099041) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione.

Molecular Properties

Compound Name(1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione
PubChem CID101099041
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione
SMILESCC1(C)[C@@H]2C[C@H]3C(=O)N(c4ccccc4)C(=O)N[C@@]3(C)[C@H]1C2
InChIInChI=1S/C18H22N2O2/c1-17(2)11-9-13-15(21)20(12-7-5-4-6-8-12)16(22)19-18(13,3)14(17)10-11/h4-8,11,13-14H,9-10H2,1-3H3,(H,19,22)/t11-,13+,14+,18-/m1/s1
InChIKeyIQIDGBWLYWIPOW-ZLJVHPLZSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-3-phenyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79801017
(3aR,5S,6R,7aS)-5,6-dibromo-2-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98120036
(3aS,5S,6S,7aR)-5,6-dibromo-2-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11862907
(1aR,2aR,5aS,6aS)-1a,6a-dimethyl-4-phenyl-2,2a,5a,6-tetrahydrooxireno[2,3-f]isoindole-3,5-dione
CID 10564037
(1R,3S,5R,8R,9S,13R,14R)-1,4,4,8-tetramethyl-11-phenyl-14-trimethylsilyl-11-azapentacyclo[6.5.1.13,5.02,7.09,13]pentadec-2(7)-ene-10,12-dione
CID 125033519
5-(2-bromophenyl)-3-phenylimidazolidine-2,4-dione
CID 142772512
(5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
CID 871927
5-imino-4,4-dimethyl-1-phenylimidazolidin-2-one
CID 35140530
(3aR,4S,7S,7aS)-4,7-dimethyl-2-phenyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721737
(5R)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853800
(5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 853799
ethane;4-phenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 91323879

Frequently Asked Questions

What is the IUPAC name of (1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione?
The IUPAC name of (1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione (CID 101099041) is (1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione.
What is the SMILES notation for (1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione?
The canonical SMILES for (1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione is CC1(C)[C@@H]2C[C@H]3C(=O)N(c4ccccc4)C(=O)N[C@@]3(C)[C@H]1C2.
What is the InChIKey of (1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione?
The InChIKey is IQIDGBWLYWIPOW-ZLJVHPLZSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-17(2)11-9-13-15(21)20(12-7-5-4-6-8-12)16(22)19-18(13,3)14(17)10-11/h4-8,11,13-14H,9-10H2,1-3H3,(H,19,22)/t11-,13+,14+,18-/m1/s1.
What are the key properties of (1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione?
(1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione has a molecular weight of 298.39 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,7R,9S)-2,10,10-trimethyl-5-phenyl-3,5-diazatricyclo[7.1.1.02,7]undecane-4,6-dione is sourced from PubChem (CID 101099041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).