3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone

C20H32N4O4 — CID 14863208

IUPAC3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
SMILESCC(C)C1NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C2CCCN2C1=O
InChIInChI=1S/C20H32N4O4/c1-11(2)15-19(27)23-9-5-8-14(23)18(26)22-16(12(3)4)20(28)24-10-6-7-13(24)17(25)21-15/h11-16H,5-10H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyJDQWFMXPVVWMMH-UHFFFAOYSA-N
MW392.50 g/mol
LogP0.26
Rot. Bonds2

About 3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone

3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone (PubChem CID 14863208) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone.

Molecular Properties

Compound Name3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
PubChem CID14863208
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone
SMILESCC(C)C1NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C2CCCN2C1=O
InChIInChI=1S/C20H32N4O4/c1-11(2)15-19(27)23-9-5-8-14(23)18(26)22-16(12(3)4)20(28)24-10-6-7-13(24)17(25)21-15/h11-16H,5-10H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyJDQWFMXPVVWMMH-UHFFFAOYSA-N
XLogP0.26
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-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

Melanostatin
CID 92910
Elastins
CID 439221
(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
L-valyl-L-proline hexylamide
CID 11623539
L-Alanyl-L-valyl-L-prolyl-L-isoleucinamide
CID 23646361
Tasidotin Hydrochloride
CID 11479259
(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
CID 11623159
Acetyl-Pro-Ala-Pro-Ala-trifluoro methane
CID 44353385
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide
CID 11151918
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(2-ethylbutyl)pyrrolidine-2-carboxamide
CID 11417324
L-leucyl-L-prolinamide
CID 11557656

Frequently Asked Questions

What is the IUPAC name of 3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone?
The IUPAC name of 3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone (CID 14863208) is 3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone.
What is the SMILES notation for 3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone?
The canonical SMILES for 3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone is CC(C)C1NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C2CCCN2C1=O.
What is the InChIKey of 3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone?
The InChIKey is JDQWFMXPVVWMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-11(2)15-19(27)23-9-5-8-14(23)18(26)22-16(12(3)4)20(28)24-10-6-7-13(24)17(25)21-15/h11-16H,5-10H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone?
3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone has a molecular weight of 392.50 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,12-di(propan-2-yl)-1,4,10,13-tetrazatricyclo[13.3.0.06,10]octadecane-2,5,11,14-tetrone is sourced from PubChem (CID 14863208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).