cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide

C12H23NO — CID 59880589

IUPACcis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide
SMILESCCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C
InChIInChI=1S/C12H23NO/c1-6-13-10(14)12(5)8-7-9(2)11(12,3)4/h9H,6-8H2,1-5H3,(H,13,14)/t9-,12-/m0/s1
InChIKeyXBZREWWEKKCQAI-CABZTGNLSA-N
MW197.32 g/mol
LogP2.58
Rot. Bonds2

About cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide

cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide (PubChem CID 59880589) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide
PubChem CID59880589
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Namecis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide
SMILESCCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C
InChIInChI=1S/C12H23NO/c1-6-13-10(14)12(5)8-7-9(2)11(12,3)4/h9H,6-8H2,1-5H3,(H,13,14)/t9-,12-/m0/s1
InChIKeyXBZREWWEKKCQAI-CABZTGNLSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide (CID 59880589) is cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide is CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C.
What is the InChIKey of cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide?
The InChIKey is XBZREWWEKKCQAI-CABZTGNLSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-13-10(14)12(5)8-7-9(2)11(12,3)4/h9H,6-8H2,1-5H3,(H,13,14)/t9-,12-/m0/s1.
What are the key properties of cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide?
cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide has a molecular weight of 197.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-ethyl-1,2,2,3-tetramethylcyclopentane-1-carboxamide is sourced from PubChem (CID 59880589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).