N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide

C24H24N2O3 — CID 4631377

IUPACN-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NN=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24N2O3/c1-28-22-14-8-9-15-23(22)29-18-24(27)26-25-21(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,26,27)
InChIKeyWJMISOPZUPJQQR-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.03
Rot. Bonds9

About N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide

N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide (PubChem CID 4631377) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide
PubChem CID4631377
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NN=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24N2O3/c1-28-22-14-8-9-15-23(22)29-18-24(27)26-25-21(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,26,27)
InChIKeyWJMISOPZUPJQQR-UHFFFAOYSA-N
XLogP4.03
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide (CID 4631377) is N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NN=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is WJMISOPZUPJQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-28-22-14-8-9-15-23(22)29-18-24(27)26-25-21(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-18H2,1H3,(H,26,27).
What are the key properties of N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide?
N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 388.47 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-ylideneamino)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 4631377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).