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

C22H24N2O3 — CID 123580869

IUPAC4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide
SMILESO=C(CC=Cc1ccc2c(c1)OCO2)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C22H24N2O3/c25-22(11-6-7-17-12-13-19-20(15-17)27-16-26-19)24(18-8-2-1-3-9-18)21-10-4-5-14-23-21/h4-7,10,12-15,18H,1-3,8-9,11,16H2
InChIKeyDLQVMAIXBLXWBD-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.58
Rot. Bonds5

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

4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide (PubChem CID 123580869) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide
PubChem CID123580869
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide
SMILESO=C(CC=Cc1ccc2c(c1)OCO2)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C22H24N2O3/c25-22(11-6-7-17-12-13-19-20(15-17)27-16-26-19)24(18-8-2-1-3-9-18)21-10-4-5-14-23-21/h4-7,10,12-15,18H,1-3,8-9,11,16H2
InChIKeyDLQVMAIXBLXWBD-UHFFFAOYSA-N
XLogP4.58
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methyl-N-pyridin-2-ylbut-2-enamide
CID 123627108
(E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide
CID 800217
3-(1,3-benzodioxol-5-yl)-N-(2-methylsulfanylethyl)-N-pyridin-2-ylprop-2-enamide
CID 175764120
(Z)-3-(1,3-benzodioxol-5-yl)-1-pyridin-2-ylprop-2-en-1-one
CID 51663355
(2E)-5-(1,3-benzodioxol-5-yl)-N,N-dicyclohexylpenta-2,4-dienamide
CID 88780505
(E)-3-(1,3-benzodioxol-5-yl)-N-cycloheptyl-N-methylprop-2-enamide
CID 51287153
(E)-N-cyclohexyl-4-(3,4-dihydroxyphenyl)-2-methyl-N-pyridin-2-ylbut-2-enamide
CID 89471645
N-cyclohexyl-3-(3-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 77404867
N-cyclopentyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyridin-2-ylbutanamide
CID 71967622
(E)-3-(1,3-benzodioxol-5-yl)-N-cyclohexylprop-2-enamide
CID 692702
N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine
CID 154932235
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-pyrimidin-2-yloxycyclohexyl)prop-2-enamide
CID 90633289

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide (CID 123580869) is 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide is O=C(CC=Cc1ccc2c(c1)OCO2)N(c1ccccn1)C1CCCCC1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide?
The InChIKey is DLQVMAIXBLXWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22(11-6-7-17-12-13-19-20(15-17)27-16-26-19)24(18-8-2-1-3-9-18)21-10-4-5-14-23-21/h4-7,10,12-15,18H,1-3,8-9,11,16H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide?
4-(1,3-benzodioxol-5-yl)-N-cyclohexyl-N-pyridin-2-ylbut-3-enamide has a molecular weight of 364.45 g/mol, XLogP of 4.58, 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-N-pyridin-2-ylbut-3-enamide is sourced from PubChem (CID 123580869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).