2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C19H30N2O2 — CID 171348899

IUPAC2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(=O)[C@@H]1C[C@H](CC2N3CC4(C)CN2CC(C)(C3)C4=O)C1(C)C
InChIInChI=1S/C19H30N2O2/c1-12(22)14-6-13(17(14,2)3)7-15-20-8-18(4)9-21(15)11-19(5,10-20)16(18)23/h13-15H,6-11H2,1-5H3/t13-,14+,15?,18?,19?/m1/s1
InChIKeyUMUXOZFLKNZSHN-NQHLVNEUSA-N
MW318.46 g/mol
LogP2.18
Rot. Bonds3

About 2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 171348899) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID171348899
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(=O)[C@@H]1C[C@H](CC2N3CC4(C)CN2CC(C)(C3)C4=O)C1(C)C
InChIInChI=1S/C19H30N2O2/c1-12(22)14-6-13(17(14,2)3)7-15-20-8-18(4)9-21(15)11-19(5,10-20)16(18)23/h13-15H,6-11H2,1-5H3/t13-,14+,15?,18?,19?/m1/s1
InChIKeyUMUXOZFLKNZSHN-NQHLVNEUSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one with MolForge

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Launch Full Analysis

Related Compounds

5'-Methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-6'-one
CID 752764
5,7-Diisopropyl-2,2-dimethyl-1,3-diazaadamantan-6-one
CID 808569
5,7-Dipropyl-1,3-diazaadamantan-6-one
CID 535997
5,7-Di-isopropyl-1,3-diazaadamantan-6-one
CID 616813
2-Ethyl-2,5-dimethyl-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 714304
5-Methyl-7-propyl-1,3-diazaadamantan-6-one
CID 597301
2-Cyclohexyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 704055
5'-Methyl-7'-propyl-1',3'-diazaspiro[cyclopentane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-6'-one
CID 714302
(1S,5R,7S)-2-isopropyl-5-methyl-7-propyl-1,3-diazaadamantan-6-one
CID 752765
2-Methyl-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 20103813
5-Isopropyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 50745243
5,7-Diethyl-1,3-diazaadamantan-6-one
CID 597302

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 171348899) is 2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC(=O)[C@@H]1C[C@H](CC2N3CC4(C)CN2CC(C)(C3)C4=O)C1(C)C.
What is the InChIKey of 2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is UMUXOZFLKNZSHN-NQHLVNEUSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-12(22)14-6-13(17(14,2)3)7-15-20-8-18(4)9-21(15)11-19(5,10-20)16(18)23/h13-15H,6-11H2,1-5H3/t13-,14+,15?,18?,19?/m1/s1.
What are the key properties of 2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 318.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 171348899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).