2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide

C16H29NO2 — CID 99810242

IUPAC2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
SMILESCCO[C@H]1C[C@@H](N(C)C(=O)CC2CCCC2)C1(C)C
InChIInChI=1S/C16H29NO2/c1-5-19-14-11-13(16(14,2)3)17(4)15(18)10-12-8-6-7-9-12/h12-14H,5-11H2,1-4H3/t13-,14+/m1/s1
InChIKeyLRFAPZCWIMEYMN-KGLIPLIRSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds5

About 2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide

2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide (PubChem CID 99810242) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
PubChem CID99810242
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide
SMILESCCO[C@H]1C[C@@H](N(C)C(=O)CC2CCCC2)C1(C)C
InChIInChI=1S/C16H29NO2/c1-5-19-14-11-13(16(14,2)3)17(4)15(18)10-12-8-6-7-9-12/h12-14H,5-11H2,1-4H3/t13-,14+/m1/s1
InChIKeyLRFAPZCWIMEYMN-KGLIPLIRSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide?
The IUPAC name of 2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide (CID 99810242) is 2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide is CCO[C@H]1C[C@@H](N(C)C(=O)CC2CCCC2)C1(C)C.
What is the InChIKey of 2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide?
The InChIKey is LRFAPZCWIMEYMN-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H29NO2/c1-5-19-14-11-13(16(14,2)3)17(4)15(18)10-12-8-6-7-9-12/h12-14H,5-11H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of 2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide?
2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide has a molecular weight of 267.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methylacetamide is sourced from PubChem (CID 99810242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).