(2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione

C16H29N3O2 — CID 155931344

IUPAC(2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione
SMILESCC(C)[C@H]1CCCCCCC(=O)NC[C@@H]2N[C@@H](C)C(=O)N21
InChIInChI=1S/C16H29N3O2/c1-11(2)13-8-6-4-5-7-9-15(20)17-10-14-18-12(3)16(21)19(13)14/h11-14,18H,4-10H2,1-3H3,(H,17,20)/t12-,13+,14+/m0/s1
InChIKeyJAHBWSLYMWAHNV-BFHYXJOUSA-N
MW295.43 g/mol
LogP1.63
Rot. Bonds1

About (2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione

(2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione (PubChem CID 155931344) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione.

Molecular Properties

Compound Name(2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione
PubChem CID155931344
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione
SMILESCC(C)[C@H]1CCCCCCC(=O)NC[C@@H]2N[C@@H](C)C(=O)N21
InChIInChI=1S/C16H29N3O2/c1-11(2)13-8-6-4-5-7-9-15(20)17-10-14-18-12(3)16(21)19(13)14/h11-14,18H,4-10H2,1-3H3,(H,17,20)/t12-,13+,14+/m0/s1
InChIKeyJAHBWSLYMWAHNV-BFHYXJOUSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9856179
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N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
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Proline scaffold, 10
CID 42618108
Proline scaffold, 30
CID 42618127
Proline scaffold, 33
CID 42618130
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N,N-di(propan-2-yl)acetamide
CID 2578454
3-[2-(4-Methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701873
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 4178426
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide
CID 4875698

Frequently Asked Questions

What is the IUPAC name of (2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione?
The IUPAC name of (2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione (CID 155931344) is (2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione.
What is the SMILES notation for (2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione?
The canonical SMILES for (2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione is CC(C)[C@H]1CCCCCCC(=O)NC[C@@H]2N[C@@H](C)C(=O)N21.
What is the InChIKey of (2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione?
The InChIKey is JAHBWSLYMWAHNV-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11(2)13-8-6-4-5-7-9-15(20)17-10-14-18-12(3)16(21)19(13)14/h11-14,18H,4-10H2,1-3H3,(H,17,20)/t12-,13+,14+/m0/s1.
What are the key properties of (2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione?
(2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione has a molecular weight of 295.43 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione is sourced from PubChem (CID 155931344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).