2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide

C26H27NO2 — CID 100781703

IUPAC2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide
SMILESC=CCC(C(=O)Nc1ccc(OC(C)C)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO2/c1-4-19-26(21-11-7-5-8-12-21,22-13-9-6-10-14-22)25(28)27-23-15-17-24(18-16-23)29-20(2)3/h4-18,20H,1,19H2,2-3H3,(H,27,28)
InChIKeyUTDAIVOVFXBVEC-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.97
Rot. Bonds8

About 2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide

2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide (PubChem CID 100781703) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide.

Molecular Properties

Compound Name2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide
PubChem CID100781703
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide
SMILESC=CCC(C(=O)Nc1ccc(OC(C)C)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO2/c1-4-19-26(21-11-7-5-8-12-21,22-13-9-6-10-14-22)25(28)27-23-15-17-24(18-16-23)29-20(2)3/h4-18,20H,1,19H2,2-3H3,(H,27,28)
InChIKeyUTDAIVOVFXBVEC-UHFFFAOYSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide?
The IUPAC name of 2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide (CID 100781703) is 2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide.
What is the SMILES notation for 2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide?
The canonical SMILES for 2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide is C=CCC(C(=O)Nc1ccc(OC(C)C)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide?
The InChIKey is UTDAIVOVFXBVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-4-19-26(21-11-7-5-8-12-21,22-13-9-6-10-14-22)25(28)27-23-15-17-24(18-16-23)29-20(2)3/h4-18,20H,1,19H2,2-3H3,(H,27,28).
What are the key properties of 2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide?
2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide has a molecular weight of 385.51 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide is sourced from PubChem (CID 100781703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).