2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide

C14H25N3O2 — CID 8686065

IUPAC2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H25N3O2/c1-2-15-14(19)16-13(18)10-17-9-5-7-11-6-3-4-8-12(11)17/h11-12H,2-10H2,1H3,(H2,15,16,18,19)/t11-,12-/m1/s1
InChIKeyHNJQZQMDECKFBC-VXGBXAGGSA-N
MW267.37 g/mol
LogP1.49
Rot. Bonds3

About 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide (PubChem CID 8686065) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide
PubChem CID8686065
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H25N3O2/c1-2-15-14(19)16-13(18)10-17-9-5-7-11-6-3-4-8-12(11)17/h11-12H,2-10H2,1H3,(H2,15,16,18,19)/t11-,12-/m1/s1
InChIKeyHNJQZQMDECKFBC-VXGBXAGGSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide (CID 8686065) is 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide?
The InChIKey is HNJQZQMDECKFBC-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-15-14(19)16-13(18)10-17-9-5-7-11-6-3-4-8-12(11)17/h11-12H,2-10H2,1H3,(H2,15,16,18,19)/t11-,12-/m1/s1.
What are the key properties of 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide?
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 8686065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).