(1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide

C15H18Cl3N3O5 — CID 54233767

IUPAC(1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide
SMILESC[C@@H]1CN(C(=O)NC(=O)C(Cl)(Cl)Cl)[C@H]2c3c(c(O)n(C)c3O)O[C@@]2(C)C1
InChIInChI=1S/C15H18Cl3N3O5/c1-6-4-14(2)9(7-8(26-14)11(23)20(3)10(7)22)21(5-6)13(25)19-12(24)15(16,17)18/h6,9,22-23H,4-5H2,1-3H3,(H,19,24,25)/t6-,9-,14-/m0/s1
InChIKeyQLCCPHFEFDRXSB-WGIXKALHSA-N
MW426.68 g/mol
LogP2.58
Rot. Bonds

About (1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide

(1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide (PubChem CID 54233767) has the molecular formula C15H18Cl3N3O5 and a molecular weight of 426.68 g/mol. Its IUPAC name is (1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide.

Molecular Properties

Compound Name(1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide
PubChem CID54233767
Molecular FormulaC15H18Cl3N3O5
Molecular Weight426.68 g/mol
Exact Mass425.03
IUPAC Name(1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide
SMILESC[C@@H]1CN(C(=O)NC(=O)C(Cl)(Cl)Cl)[C@H]2c3c(c(O)n(C)c3O)O[C@@]2(C)C1
InChIInChI=1S/C15H18Cl3N3O5/c1-6-4-14(2)9(7-8(26-14)11(23)20(3)10(7)22)21(5-6)13(25)19-12(24)15(16,17)18/h6,9,22-23H,4-5H2,1-3H3,(H,19,24,25)/t6-,9-,14-/m0/s1
InChIKeyQLCCPHFEFDRXSB-WGIXKALHSA-N
XLogP2.58
TPSA104.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.68
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide 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

ethynyl (1S,2R,6S,8S,10S)-4,8,10-trimethyl-3,5-dioxo-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-12-carboxylate
CID 59968364
N,3,3,5-tetramethylpiperidine-1-carboxamide
CID 127816904
2,2,2-trichloro-N-[(1R,3S,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]acetamide
CID 10732733
2,2,2-trichloro-N-[[(2R,3R,4R)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl]acetamide
CID 11231660
methyl (3aR,4S,6R,6aS)-2,2-dimethyl-4-[(2,2,2-trichloroacetyl)amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxylate
CID 139090185
2,2,2-trichloroethyl (2S,5R)-3,3-dimethyl-7-oxo-2-[(2,2,2-trichloroacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 54065441
N-[(3aR,4S,7R,7aR)-7-methoxy-6,6-dimethyl-2-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]-2,2,2-trichloroacetamide
CID 86652364
N-(3,5-dichlorophenyl)-2,4-dimethylpyrrolidine-1-carboxamide
CID 59715448
7-hydroxy-2,3a,5,6,8-pentamethyl-3,8b-dihydro-2H-cyclopenta[b][1]benzofuran-1-one
CID 142093816
3,3,4,6-tetramethylmorpholin-2-one
CID 19910046
CID 177498131
CID 177498131
(2R,4R)-1-[(2,3-dimethyloxolan-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114096599

Frequently Asked Questions

What is the IUPAC name of (1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide?
The IUPAC name of (1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide (CID 54233767) is (1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide.
What is the SMILES notation for (1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide?
The canonical SMILES for (1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide is C[C@@H]1CN(C(=O)NC(=O)C(Cl)(Cl)Cl)[C@H]2c3c(c(O)n(C)c3O)O[C@@]2(C)C1.
What is the InChIKey of (1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide?
The InChIKey is QLCCPHFEFDRXSB-WGIXKALHSA-N. The full InChI is InChI=1S/C15H18Cl3N3O5/c1-6-4-14(2)9(7-8(26-14)11(23)20(3)10(7)22)21(5-6)13(25)19-12(24)15(16,17)18/h6,9,22-23H,4-5H2,1-3H3,(H,19,24,25)/t6-,9-,14-/m0/s1.
What are the key properties of (1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide?
(1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide has a molecular weight of 426.68 g/mol, XLogP of 2.58, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,10S)-3,5-dihydroxy-4,8,10-trimethyl-N-(2,2,2-trichloroacetyl)-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodeca-2,5-diene-12-carboxamide is sourced from PubChem (CID 54233767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).