2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide

C16H27NO3 — CID 124623493

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide
SMILESCCO[C@@H]1C[C@](O)(CNC(=O)C[C@H]2C=CCC2)C1(C)C
InChIInChI=1S/C16H27NO3/c1-4-20-13-10-16(19,15(13,2)3)11-17-14(18)9-12-7-5-6-8-12/h5,7,12-13,19H,4,6,8-11H2,1-3H3,(H,17,18)/t12-,13+,16-/m0/s1
InChIKeyPLNUCLFVALFYLS-ZENOOKHLSA-N
MW281.40 g/mol
LogP2.03
Rot. Bonds6

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide (PubChem CID 124623493) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide
PubChem CID124623493
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide
SMILESCCO[C@@H]1C[C@](O)(CNC(=O)C[C@H]2C=CCC2)C1(C)C
InChIInChI=1S/C16H27NO3/c1-4-20-13-10-16(19,15(13,2)3)11-17-14(18)9-12-7-5-6-8-12/h5,7,12-13,19H,4,6,8-11H2,1-3H3,(H,17,18)/t12-,13+,16-/m0/s1
InChIKeyPLNUCLFVALFYLS-ZENOOKHLSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide (CID 124623493) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide is CCO[C@@H]1C[C@](O)(CNC(=O)C[C@H]2C=CCC2)C1(C)C.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide?
The InChIKey is PLNUCLFVALFYLS-ZENOOKHLSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-20-13-10-16(19,15(13,2)3)11-17-14(18)9-12-7-5-6-8-12/h5,7,12-13,19H,4,6,8-11H2,1-3H3,(H,17,18)/t12-,13+,16-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]acetamide is sourced from PubChem (CID 124623493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).