(1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione

C19H32N2O5 — CID 59968344

IUPAC(1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione
SMILESCCN1C(=O)[C@H]2[C@H](O[C@@]3(C)C[C@H](C)CN(CC(O)COC(C)C)[C@@H]23)C1=O
InChIInChI=1S/C19H32N2O5/c1-6-21-17(23)14-15(18(21)24)26-19(5)7-12(4)8-20(16(14)19)9-13(22)10-25-11(2)3/h11-16,22H,6-10H2,1-5H3/t12-,13?,14-,15-,16-,19-/m0/s1
InChIKeyIGDNUQNFWVYGJH-GVDKXMFJSA-N
MW368.47 g/mol
LogP0.65
Rot. Bonds6

About (1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione

(1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione (PubChem CID 59968344) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is (1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione.

Molecular Properties

Compound Name(1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione
PubChem CID59968344
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Name(1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione
SMILESCCN1C(=O)[C@H]2[C@H](O[C@@]3(C)C[C@H](C)CN(CC(O)COC(C)C)[C@@H]23)C1=O
InChIInChI=1S/C19H32N2O5/c1-6-21-17(23)14-15(18(21)24)26-19(5)7-12(4)8-20(16(14)19)9-13(22)10-25-11(2)3/h11-16,22H,6-10H2,1-5H3/t12-,13?,14-,15-,16-,19-/m0/s1
InChIKeyIGDNUQNFWVYGJH-GVDKXMFJSA-N
XLogP0.65
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione with MolForge

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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
1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
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1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpyrrolidine-3-carboxylic acid
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(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 129413626
(1S,2R,6S,8S,10R)-4-benzyl-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione
CID 59968357
(1R,2R,6R,7R)-4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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1-[3-(2-hydroxy-3-propan-2-yloxypropyl)-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]-3-propan-2-yloxypropan-2-ol
CID 166219413
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
CID 115826056
4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid
CID 114430814
ethyl 5-cyclopropyl-1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate
CID 103107226
2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-5-[(2S,3R)-3-methyloxolan-2-yl]-4-propan-2-yl-1,2,4-triazol-3-one
CID 129342034
1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635453

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione?
The IUPAC name of (1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione (CID 59968344) is (1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione.
What is the SMILES notation for (1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione?
The canonical SMILES for (1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione is CCN1C(=O)[C@H]2[C@H](O[C@@]3(C)C[C@H](C)CN(CC(O)COC(C)C)[C@@H]23)C1=O.
What is the InChIKey of (1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione?
The InChIKey is IGDNUQNFWVYGJH-GVDKXMFJSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-6-21-17(23)14-15(18(21)24)26-19(5)7-12(4)8-20(16(14)19)9-13(22)10-25-11(2)3/h11-16,22H,6-10H2,1-5H3/t12-,13?,14-,15-,16-,19-/m0/s1.
What are the key properties of (1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione?
(1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione has a molecular weight of 368.47 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,8S,10S)-4-ethyl-12-(2-hydroxy-3-propan-2-yloxypropyl)-8,10-dimethyl-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-3,5-dione is sourced from PubChem (CID 59968344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).