10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone

C24H38N4O5 — CID 137381623

IUPAC10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone
SMILESCC1CC2COC(C)CC(=O)N3CCCC3C(=O)N3CCCCC3C(=O)NC(C)C(=O)N2C1
InChIInChI=1S/C24H38N4O5/c1-15-11-18-14-33-16(2)12-21(29)26-10-6-8-20(26)24(32)27-9-5-4-7-19(27)22(30)25-17(3)23(31)28(18)13-15/h15-20H,4-14H2,1-3H3,(H,25,30)
InChIKeyBSIOFAUWEYRVDX-UHFFFAOYSA-N
MW462.59 g/mol
LogP0.91
Rot. Bonds

About 10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone

10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone (PubChem CID 137381623) has the molecular formula C24H38N4O5 and a molecular weight of 462.59 g/mol. Its IUPAC name is 10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone.

Molecular Properties

Compound Name10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone
PubChem CID137381623
Molecular FormulaC24H38N4O5
Molecular Weight462.59 g/mol
Exact Mass462.28
IUPAC Name10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone
SMILESCC1CC2COC(C)CC(=O)N3CCCC3C(=O)N3CCCCC3C(=O)NC(C)C(=O)N2C1
InChIInChI=1S/C24H38N4O5/c1-15-11-18-14-33-16(2)12-21(29)26-10-6-8-20(26)24(32)27-9-5-4-7-19(27)22(30)25-17(3)23(31)28(18)13-15/h15-20H,4-14H2,1-3H3,(H,25,30)
InChIKeyBSIOFAUWEYRVDX-UHFFFAOYSA-N
XLogP0.91
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone 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)-10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone
CID 137381504
(15R)-10,15,19,24-tetramethyl-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone
CID 134321700
(3S,9S,10S,13S,15R,19S,22S)-9-amino-10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone
CID 144801428
(3S,8aR)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 5325711
2-(3-methylcyclobutyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 113467515
(3S,5S,13S,15R,19S,22S)-5-amino-15,19-dimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone
CID 138720624
(3S,5R,15R)-5-hydroxy-15,19-dimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,12,18,21-pentone
CID 167146721
4,13,16,17-tetramethyl-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosane-2,6,12,15,18-pentone
CID 137381329
3-(3,5-difluorophenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]-N-(10,15,19-trimethyl-2,8,18,21-tetraoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl)propanamide
CID 123416353
2-(3,5-dimethylcyclohexyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79945145
(2S)-3-(3,5-difluorophenyl)-2-[(3,4-dimethylphenyl)carbamoylamino]-N-[(9S,15S,19S)-15,19-dimethyl-2,8,18,21-tetraoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]propanamide
CID 134213479
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024

Frequently Asked Questions

What is the IUPAC name of 10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone?
The IUPAC name of 10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone (CID 137381623) is 10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone.
What is the SMILES notation for 10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone?
The canonical SMILES for 10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone is CC1CC2COC(C)CC(=O)N3CCCC3C(=O)N3CCCCC3C(=O)NC(C)C(=O)N2C1.
What is the InChIKey of 10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone?
The InChIKey is BSIOFAUWEYRVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O5/c1-15-11-18-14-33-16(2)12-21(29)26-10-6-8-20(26)24(32)27-9-5-4-7-19(27)22(30)25-17(3)23(31)28(18)13-15/h15-20H,4-14H2,1-3H3,(H,25,30).
What are the key properties of 10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone?
10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone has a molecular weight of 462.59 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15,19-trimethyl-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosane-2,8,18,21-tetrone is sourced from PubChem (CID 137381623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).