(2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide

C14H23NO2 — CID 121268258

IUPAC(2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide
SMILESCCC1(O)C=CC=C(C[C@@H](C)C(=O)N(C)C)C1
InChIInChI=1S/C14H23NO2/c1-5-14(17)8-6-7-12(10-14)9-11(2)13(16)15(3)4/h6-8,11,17H,5,9-10H2,1-4H3/t11-,14?/m1/s1
InChIKeyUNIQJXIRXNCFHE-YNODCEANSA-N
MW237.34 g/mol
LogP2.13
Rot. Bonds4

About (2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide

(2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide (PubChem CID 121268258) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name(2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide
PubChem CID121268258
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide
SMILESCCC1(O)C=CC=C(C[C@@H](C)C(=O)N(C)C)C1
InChIInChI=1S/C14H23NO2/c1-5-14(17)8-6-7-12(10-14)9-11(2)13(16)15(3)4/h6-8,11,17H,5,9-10H2,1-4H3/t11-,14?/m1/s1
InChIKeyUNIQJXIRXNCFHE-YNODCEANSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide?
The IUPAC name of (2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide (CID 121268258) is (2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide.
What is the SMILES notation for (2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide?
The canonical SMILES for (2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide is CCC1(O)C=CC=C(C[C@@H](C)C(=O)N(C)C)C1.
What is the InChIKey of (2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide?
The InChIKey is UNIQJXIRXNCFHE-YNODCEANSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-14(17)8-6-7-12(10-14)9-11(2)13(16)15(3)4/h6-8,11,17H,5,9-10H2,1-4H3/t11-,14?/m1/s1.
What are the key properties of (2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide?
(2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide has a molecular weight of 237.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(5-ethyl-5-hydroxycyclohexa-1,3-dien-1-yl)-N,N,2-trimethylpropanamide is sourced from PubChem (CID 121268258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).