N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide

C25H23NO3 — CID 10215937

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(C(=CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H23NO3/c1-17-3-7-19(8-4-17)22(20-9-5-18(2)6-10-20)16-25(27)26-21-11-12-23-24(15-21)29-14-13-28-23/h3-12,15-16H,13-14H2,1-2H3,(H,26,27)
InChIKeyOXDFRDJVHNJFAA-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.15
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide (PubChem CID 10215937) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide
PubChem CID10215937
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(C(=CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H23NO3/c1-17-3-7-19(8-4-17)22(20-9-5-18(2)6-10-20)16-25(27)26-21-11-12-23-24(15-21)29-14-13-28-23/h3-12,15-16H,13-14H2,1-2H3,(H,26,27)
InChIKeyOXDFRDJVHNJFAA-UHFFFAOYSA-N
XLogP5.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Amg-9810
CID 680502
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
3-Carboxamido coumarin, 30
CID 797192
JNK3 inhibitor 3
CID 46911147
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl acetate
CID 3155160
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
(E)-3-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 2163913
CeMMEC13
CID 110694558
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide
CID 680501

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide (CID 10215937) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide is Cc1ccc(C(=CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide?
The InChIKey is OXDFRDJVHNJFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-17-3-7-19(8-4-17)22(20-9-5-18(2)6-10-20)16-25(27)26-21-11-12-23-24(15-21)29-14-13-28-23/h3-12,15-16H,13-14H2,1-2H3,(H,26,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide has a molecular weight of 385.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-bis(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 10215937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).