N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide

C22H22N2O3 — CID 6518926

IUPACN-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1
InChIInChI=1S/C22H22N2O3/c1-16(25)24-19-11-9-18(10-12-19)23-14-13-20-15-21(27-22(2,3)26-20)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,24,25)/b20-13-,23-14+
InChIKeyJPFQZLSGOZGYPA-XWIPEQAGSA-N
MW362.43 g/mol
LogP5.06
Rot. Bonds4

About N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide

N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide (PubChem CID 6518926) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide
PubChem CID6518926
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1
InChIInChI=1S/C22H22N2O3/c1-16(25)24-19-11-9-18(10-12-19)23-14-13-20-15-21(27-22(2,3)26-20)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,24,25)/b20-13-,23-14+
InChIKeyJPFQZLSGOZGYPA-XWIPEQAGSA-N
XLogP5.06
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide (CID 6518926) is N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1.
What is the InChIKey of N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide?
The InChIKey is JPFQZLSGOZGYPA-XWIPEQAGSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16(25)24-19-11-9-18(10-12-19)23-14-13-20-15-21(27-22(2,3)26-20)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,24,25)/b20-13-,23-14+.
What are the key properties of N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide?
N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2Z)-2-(2,2-dimethyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]amino]phenyl]acetamide is sourced from PubChem (CID 6518926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).