(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

C20H29NO2 — CID 92684033

IUPAC(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C20H29NO2/c1-14-12-15(2)16(3)19(13-14)23-17(4)20(22)21-11-10-18-8-6-5-7-9-18/h8,12-13,17H,5-7,9-11H2,1-4H3,(H,21,22)/t17-/m1/s1
InChIKeyFYCTYKJORFVAON-QGZVFWFLSA-N
MW315.46 g/mol
LogP4.39
Rot. Bonds6

About (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 92684033) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID92684033
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C20H29NO2/c1-14-12-15(2)16(3)19(13-14)23-17(4)20(22)21-11-10-18-8-6-5-7-9-18/h8,12-13,17H,5-7,9-11H2,1-4H3,(H,21,22)/t17-/m1/s1
InChIKeyFYCTYKJORFVAON-QGZVFWFLSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112777989
(2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7653002
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
(2S)-N-[2-(4-propan-2-ylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680909
(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide
CID 133211059
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 7568062
(2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7568813
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 92684033) is (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is FYCTYKJORFVAON-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29NO2/c1-14-12-15(2)16(3)19(13-14)23-17(4)20(22)21-11-10-18-8-6-5-7-9-18/h8,12-13,17H,5-7,9-11H2,1-4H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 315.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 92684033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).