2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide

C19H34N4O2 — CID 124777937

IUPAC2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C19H34N4O2/c1-3-22-11-10-15-8-9-16(12-22)23(15)13-18(24)21-19(25)20-17-7-5-4-6-14(17)2/h14-17H,3-13H2,1-2H3,(H2,20,21,24,25)/t14-,15+,16-,17-/m0/s1
InChIKeySCSUSMZEZLULMV-YVSFHVDLSA-N
MW350.51 g/mol
LogP1.95
Rot. Bonds4

About 2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide

2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 124777937) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID124777937
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C19H34N4O2/c1-3-22-11-10-15-8-9-16(12-22)23(15)13-18(24)21-19(25)20-17-7-5-4-6-14(17)2/h14-17H,3-13H2,1-2H3,(H2,20,21,24,25)/t14-,15+,16-,17-/m0/s1
InChIKeySCSUSMZEZLULMV-YVSFHVDLSA-N
XLogP1.95
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide with MolForge

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Related Compounds

2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 97099778
N-[(2-methylcyclohexyl)carbamoyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677252
2-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 96538170
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 97221018
2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 100907056
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methylcyclohexyl)acetamide
CID 61235181
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
2-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 124864665
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 11930479

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide (CID 124777937) is 2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide is CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C.
What is the InChIKey of 2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is SCSUSMZEZLULMV-YVSFHVDLSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-3-22-11-10-15-8-9-16(12-22)23(15)13-18(24)21-19(25)20-17-7-5-4-6-14(17)2/h14-17H,3-13H2,1-2H3,(H2,20,21,24,25)/t14-,15+,16-,17-/m0/s1.
What are the key properties of 2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 350.51 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 124777937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).