N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

C17H23NO4 — CID 124607013

IUPACN-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N[C@@H]2CC=CCC2)cc(OC)c1OC
InChIInChI=1S/C17H23NO4/c1-20-14-9-12(10-15(21-2)17(14)22-3)11-16(19)18-13-7-5-4-6-8-13/h4-5,9-10,13H,6-8,11H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyFHRQZURMWVYPAC-CYBMUJFWSA-N
MW305.37 g/mol
LogP2.48
Rot. Bonds6

About N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 124607013) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID124607013
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC NameN-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N[C@@H]2CC=CCC2)cc(OC)c1OC
InChIInChI=1S/C17H23NO4/c1-20-14-9-12(10-15(21-2)17(14)22-3)11-16(19)18-13-7-5-4-6-8-13/h4-5,9-10,13H,6-8,11H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyFHRQZURMWVYPAC-CYBMUJFWSA-N
XLogP2.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2365804
(1S)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 25396191
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8885722
N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 51165959
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46454579
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 91761693
(3,4,5-trimethoxyphenyl)methyl N-[(1S,8S)-8-aminocyclooct-4-en-1-yl]carbamate
CID 123601824
N-cyclopropyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide
CID 7944484
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 119456262
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7706439
2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8559125
N-ethoxy-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168994

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 124607013) is N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)N[C@@H]2CC=CCC2)cc(OC)c1OC.
What is the InChIKey of N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is FHRQZURMWVYPAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23NO4/c1-20-14-9-12(10-15(21-2)17(14)22-3)11-16(19)18-13-7-5-4-6-8-13/h4-5,9-10,13H,6-8,11H2,1-3H3,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 305.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-cyclohex-3-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 124607013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).