2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide

C15H25N3O2 — CID 94216441

IUPAC2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CC2C[C@@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C15H25N3O2/c1-2-16-15(20)17-14(19)9-18-8-12-4-10-3-11(5-12)7-13(18)6-10/h10-13H,2-9H2,1H3,(H2,16,17,19,20)/t10-,11+,12?,13?
InChIKeyXESNDESOGKWBMA-MPEURRAXSA-N
MW279.38 g/mol
LogP1.34
Rot. Bonds3

About 2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide

2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide (PubChem CID 94216441) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide
PubChem CID94216441
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CC2C[C@@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C15H25N3O2/c1-2-16-15(20)17-14(19)9-18-8-12-4-10-3-11(5-12)7-13(18)6-10/h10-13H,2-9H2,1H3,(H2,16,17,19,20)/t10-,11+,12?,13?
InChIKeyXESNDESOGKWBMA-MPEURRAXSA-N
XLogP1.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide (CID 94216441) is 2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN1CC2C[C@@H]3CC1C[C@H](C2)C3.
What is the InChIKey of 2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide?
The InChIKey is XESNDESOGKWBMA-MPEURRAXSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-16-15(20)17-14(19)9-18-8-12-4-10-3-11(5-12)7-13(18)6-10/h10-13H,2-9H2,1H3,(H2,16,17,19,20)/t10-,11+,12?,13?.
What are the key properties of 2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide?
2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 94216441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).