(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide

C17H23NO3 — CID 94484941

IUPAC(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)[C@@H]2CC=CCC2)c1
InChIInChI=1S/C17H23NO3/c1-20-15-8-9-16(21-2)14(12-15)10-11-18-17(19)13-6-4-3-5-7-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyGPOQVMSUNIGJJN-CYBMUJFWSA-N
MW289.38 g/mol
LogP2.72
Rot. Bonds6

About (1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 94484941) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID94484941
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)[C@@H]2CC=CCC2)c1
InChIInChI=1S/C17H23NO3/c1-20-15-8-9-16(21-2)14(12-15)10-11-18-17(19)13-6-4-3-5-7-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyGPOQVMSUNIGJJN-CYBMUJFWSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
CID 110788021
(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 51469355
(1S)-N-[2-(3,5-dimethoxyanilino)ethyl]cyclohex-3-ene-1-carboxamide
CID 97240363
(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 39911564
N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide
CID 43009468
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698832
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71796620
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
(1S)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 25396191

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide (CID 94484941) is (1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide is COc1ccc(OC)c(CCNC(=O)[C@@H]2CC=CCC2)c1.
What is the InChIKey of (1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is GPOQVMSUNIGJJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15-8-9-16(21-2)14(12-15)10-11-18-17(19)13-6-4-3-5-7-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 94484941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).