(11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate

C24H37NO4 — CID 616525

IUPAC(11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate
SMILESCC(=O)OC1CC2C(N(C(C)=O)CC3(C)CCCC23C(C)=O)C2(C)CCCCC12
InChIInChI=1S/C24H37NO4/c1-15(26)24-12-8-10-22(24,4)14-25(16(2)27)21-19(24)13-20(29-17(3)28)18-9-6-7-11-23(18,21)5/h18-21H,6-14H2,1-5H3
InChIKeyUYGJNSJPMJOUDD-UHFFFAOYSA-N
MW403.56 g/mol
LogP4.13
Rot. Bonds2

About (11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate

(11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate (PubChem CID 616525) has the molecular formula C24H37NO4 and a molecular weight of 403.56 g/mol. Its IUPAC name is (11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate.

Molecular Properties

Compound Name(11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate
PubChem CID616525
Molecular FormulaC24H37NO4
Molecular Weight403.56 g/mol
Exact Mass403.27
IUPAC Name(11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate
SMILESCC(=O)OC1CC2C(N(C(C)=O)CC3(C)CCCC23C(C)=O)C2(C)CCCCC12
InChIInChI=1S/C24H37NO4/c1-15(26)24-12-8-10-22(24,4)14-25(16(2)27)21-19(24)13-20(29-17(3)28)18-9-6-7-11-23(18,21)5/h18-21H,6-14H2,1-5H3
InChIKeyUYGJNSJPMJOUDD-UHFFFAOYSA-N
XLogP4.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate with MolForge

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Related Compounds

[(5R,8R,9S,10S,13S,14S,16R,17R)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
CID 10592862
[(5R,7R,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl] acetate
CID 99571892
[(5R,8S,9R,10S,13R,14R,16S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
CID 124911001
[(5R,8S,9R,10S,13S,14R,16R,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
CID 124911003
[(1R,2R,4R)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 13094010
[(5R,8R,9S,10S,12S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
CID 99571764
[(5R,8S,9R,10S,12R,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
CID 125028535
[(1S,4R,4aR,8aR)-4-hydroxy-4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-naphthalen-1-yl] acetate
CID 101254787
[17-(1-acetyloxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
CID 4647299
[(5R,8R,9S,10S,13R,14R,16R,17R)-17-[(1R)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
CID 125030776
(17-imidazol-1-yl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl) acetate
CID 76533725
[(3S,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl] acetate
CID 15819211

Frequently Asked Questions

What is the IUPAC name of (11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate?
The IUPAC name of (11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate (CID 616525) is (11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate.
What is the SMILES notation for (11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate?
The canonical SMILES for (11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate is CC(=O)OC1CC2C(N(C(C)=O)CC3(C)CCCC23C(C)=O)C2(C)CCCCC12.
What is the InChIKey of (11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate?
The InChIKey is UYGJNSJPMJOUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO4/c1-15(26)24-12-8-10-22(24,4)14-25(16(2)27)21-19(24)13-20(29-17(3)28)18-9-6-7-11-23(18,21)5/h18-21H,6-14H2,1-5H3.
What are the key properties of (11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate?
(11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate has a molecular weight of 403.56 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11,17-diacetyl-2,15-dimethyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadecan-8-yl) acetate is sourced from PubChem (CID 616525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).