4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide

C23H26N2O3 — CID 123627108

IUPAC4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide
SMILESCC(=CCc1ccc2c(c1)OCO2)C(=O)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C23H26N2O3/c1-17(10-11-18-12-13-20-21(15-18)28-16-27-20)23(26)25(19-7-3-2-4-8-19)22-9-5-6-14-24-22/h5-6,9-10,12-15,19H,2-4,7-8,11,16H2,1H3
InChIKeyMOVGUJXPVORXIM-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.66
Rot. Bonds5

About 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide

4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide (PubChem CID 123627108) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide
PubChem CID123627108
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide
SMILESCC(=CCc1ccc2c(c1)OCO2)C(=O)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C23H26N2O3/c1-17(10-11-18-12-13-20-21(15-18)28-16-27-20)23(26)25(19-7-3-2-4-8-19)22-9-5-6-14-24-22/h5-6,9-10,12-15,19H,2-4,7-8,11,16H2,1H3
InChIKeyMOVGUJXPVORXIM-UHFFFAOYSA-N
XLogP4.66
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide (CID 123627108) is 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide is CC(=CCc1ccc2c(c1)OCO2)C(=O)N(c1ccccn1)C1CCCCC1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide?
The InChIKey is MOVGUJXPVORXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17(10-11-18-12-13-20-21(15-18)28-16-27-20)23(26)25(19-7-3-2-4-8-19)22-9-5-6-14-24-22/h5-6,9-10,12-15,19H,2-4,7-8,11,16H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide?
4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide has a molecular weight of 378.47 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide is sourced from PubChem (CID 123627108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).