4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide

C24H28N2O2 — CID 142931597

IUPAC4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCN(C(=O)c1ccc(OC2C=CCCC2)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H28N2O2/c1-25(20-11-13-21(14-12-20)26-17-5-6-18-26)24(27)19-9-15-23(16-10-19)28-22-7-3-2-4-8-22/h3,7,9-16,22H,2,4-6,8,17-18H2,1H3
InChIKeyJVKCEDYWGGTECP-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.05
Rot. Bonds5

About 4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide

4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 142931597) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID142931597
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCN(C(=O)c1ccc(OC2C=CCCC2)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H28N2O2/c1-25(20-11-13-21(14-12-20)26-17-5-6-18-26)24(27)19-9-15-23(16-10-19)28-22-7-3-2-4-8-22/h3,7,9-16,22H,2,4-6,8,17-18H2,1H3
InChIKeyJVKCEDYWGGTECP-UHFFFAOYSA-N
XLogP5.05
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-4-cyclohex-2-en-1-yloxybenzamide
CID 58867223
N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 142931521
4-[(1S)-cyclohex-2-en-1-yl]oxybenzoate
CID 7343247
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol
CID 67807487
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide
CID 110417503
4-butoxy-N-methyl-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 21105482
4-cyclohex-2-en-1-yloxybenzaldehyde
CID 19069252
2-chloro-5-cyclohex-2-en-1-yloxybenzoic acid
CID 106500787
[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclohex-3-ene-1-carboxylate
CID 60594523
(4-pyrrolidin-1-ylphenyl) N,N-dimethylcarbamate
CID 67304885

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 142931597) is 4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide is CN(C(=O)c1ccc(OC2C=CCCC2)cc1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is JVKCEDYWGGTECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-25(20-11-13-21(14-12-20)26-17-5-6-18-26)24(27)19-9-15-23(16-10-19)28-22-7-3-2-4-8-22/h3,7,9-16,22H,2,4-6,8,17-18H2,1H3.
What are the key properties of 4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 376.50 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 142931597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).