(1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione

C20H30N2O3 — CID 145221601

IUPAC(1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione
SMILESCOC1CC[C@@]2(C)C(=CC(=O)NC3[C@@H]2CC[C@]2(C)NC(=O)CC[C@@H]32)C1
InChIInChI=1S/C20H30N2O3/c1-19-8-6-13(25-3)10-12(19)11-17(24)21-18-14(19)7-9-20(2)15(18)4-5-16(23)22-20/h11,13-15,18H,4-10H2,1-3H3,(H,21,24)(H,22,23)/t13?,14-,15-,18?,19-,20-/m0/s1
InChIKeySQJCLAOXGUCCRF-VNAPPTDXSA-N
MW346.47 g/mol
LogP2.31
Rot. Bonds1

About (1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione

(1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione (PubChem CID 145221601) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione.

Molecular Properties

Compound Name(1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione
PubChem CID145221601
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione
SMILESCOC1CC[C@@]2(C)C(=CC(=O)NC3[C@@H]2CC[C@]2(C)NC(=O)CC[C@@H]32)C1
InChIInChI=1S/C20H30N2O3/c1-19-8-6-13(25-3)10-12(19)11-17(24)21-18-14(19)7-9-20(2)15(18)4-5-16(23)22-20/h11,13-15,18H,4-10H2,1-3H3,(H,21,24)(H,22,23)/t13?,14-,15-,18?,19-,20-/m0/s1
InChIKeySQJCLAOXGUCCRF-VNAPPTDXSA-N
XLogP2.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-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

(3S,10R,13S)-3-methoxy-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
CID 11472559
(4aS,6aS,10aS,10bS,12aS)-8-methoxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-2-one;ethane
CID 145221595
(4aS,4bR,8S,10aR,10bS,12aS)-8-[tert-butyl(dimethyl)silyl]oxy-10a,12a-dimethyl-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-2-one
CID 102254868
(3S,10R,13S)-3-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 70857153
(4aS,6S)-6-[(2Z)-4-methoxy-1-methyl-2-(2-oxopropylidene)cyclohexyl]-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydroquinolin-2-one;ethane;2-methylpropane
CID 145221608
(E,3R,8R,9S,10R,13S,14S)-N,3-dimethoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-imine
CID 91741629
(8S,9S,10R,13R,14S)-3-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
CID 154102223
(3S,10R,13S)-10,13-dimethyl-3-(methylperoxymethoxy)-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
CID 88956173
[(3S,8R,9R,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 11888126
17-hydroxy-3-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
CID 3580302
(4aS,4bR,8S,10aR,10bS,12aS)-8-methoxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydronaphtho[2,1-f]chromen-2-one
CID 53230427
[(1R,2R,5S,11R,12R,15S,16S)-15-acetamido-2,16-dimethyl-9-oxo-10-azatetracyclo[9.7.0.02,7.012,16]octadec-7-en-5-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
CID 44576363

Frequently Asked Questions

What is the IUPAC name of (1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione?
The IUPAC name of (1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione (CID 145221601) is (1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione.
What is the SMILES notation for (1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione?
The canonical SMILES for (1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione is COC1CC[C@@]2(C)C(=CC(=O)NC3[C@@H]2CC[C@]2(C)NC(=O)CC[C@@H]32)C1.
What is the InChIKey of (1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione?
The InChIKey is SQJCLAOXGUCCRF-VNAPPTDXSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-19-8-6-13(25-3)10-12(19)11-17(24)21-18-14(19)7-9-20(2)15(18)4-5-16(23)22-20/h11,13-15,18H,4-10H2,1-3H3,(H,21,24)(H,22,23)/t13?,14-,15-,18?,19-,20-/m0/s1.
What are the key properties of (1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione?
(1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione has a molecular weight of 346.47 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,12S,17S)-5-methoxy-2,17-dimethyl-10,16-diazatetracyclo[9.8.0.02,7.012,17]nonadec-7-ene-9,15-dione is sourced from PubChem (CID 145221601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).