5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide

C18H22BrNO3 — CID 124836386

IUPAC5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide
SMILESC[C@H](NC(=O)c1coc(=O)c(Br)c1)[C@@H]1[C@H]2CC[C@@H]3C[C@@H](C2)C[C@H]31
InChIInChI=1S/C18H22BrNO3/c1-9(20-17(21)13-7-15(19)18(22)23-8-13)16-12-3-2-11-4-10(5-12)6-14(11)16/h7-12,14,16H,2-6H2,1H3,(H,20,21)/t9-,10-,11+,12-,14+,16+/m0/s1
InChIKeyPGLXEDMYMQAPFM-XMAQRBOCSA-N
MW380.28 g/mol
LogP3.59
Rot. Bonds3

About 5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide

5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide (PubChem CID 124836386) has the molecular formula C18H22BrNO3 and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide
PubChem CID124836386
Molecular FormulaC18H22BrNO3
Molecular Weight380.28 g/mol
Exact Mass379.08
IUPAC Name5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide
SMILESC[C@H](NC(=O)c1coc(=O)c(Br)c1)[C@@H]1[C@H]2CC[C@@H]3C[C@@H](C2)C[C@H]31
InChIInChI=1S/C18H22BrNO3/c1-9(20-17(21)13-7-15(19)18(22)23-8-13)16-12-3-2-11-4-10(5-12)6-14(11)16/h7-12,14,16H,2-6H2,1H3,(H,20,21)/t9-,10-,11+,12-,14+,16+/m0/s1
InChIKeyPGLXEDMYMQAPFM-XMAQRBOCSA-N
XLogP3.59
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide with MolForge

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Related Compounds

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CID 98135780
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-bromo-3,5-dimethoxybenzamide
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(1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine
CID 99948578
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
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N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-4-fluorobenzamide
CID 24708984
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-5-fluorobenzamide
CID 24699631
N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide
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N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbenzamide
CID 98205461
5-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-3,5-dicarboxamide
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N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide?
The IUPAC name of 5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide (CID 124836386) is 5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide.
What is the SMILES notation for 5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide?
The canonical SMILES for 5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide is C[C@H](NC(=O)c1coc(=O)c(Br)c1)[C@@H]1[C@H]2CC[C@@H]3C[C@@H](C2)C[C@H]31.
What is the InChIKey of 5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide?
The InChIKey is PGLXEDMYMQAPFM-XMAQRBOCSA-N. The full InChI is InChI=1S/C18H22BrNO3/c1-9(20-17(21)13-7-15(19)18(22)23-8-13)16-12-3-2-11-4-10(5-12)6-14(11)16/h7-12,14,16H,2-6H2,1H3,(H,20,21)/t9-,10-,11+,12-,14+,16+/m0/s1.
What are the key properties of 5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide?
5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide has a molecular weight of 380.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-oxo-N-[(1S)-1-[(1S,3R,6S,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethyl]pyran-3-carboxamide is sourced from PubChem (CID 124836386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).