tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate

C22H25NO2 — CID 14395679

IUPACtert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-22(2,3)25-21(24)23-17-11-10-16-20(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16H,17H2,1-3H3,(H,23,24)/b11-10+
InChIKeyCIMCYGYTFSBEIG-ZHACJKMWSA-N
MW335.45 g/mol
LogP5.20
Rot. Bonds5

About tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate

tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate (PubChem CID 14395679) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate
PubChem CID14395679
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Nametert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-22(2,3)25-21(24)23-17-11-10-16-20(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16H,17H2,1-3H3,(H,23,24)/b11-10+
InChIKeyCIMCYGYTFSBEIG-ZHACJKMWSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate?
The IUPAC name of tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate (CID 14395679) is tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate?
The canonical SMILES for tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate is CC(C)(C)OC(=O)NC/C=C/C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate?
The InChIKey is CIMCYGYTFSBEIG-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H25NO2/c1-22(2,3)25-21(24)23-17-11-10-16-20(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16H,17H2,1-3H3,(H,23,24)/b11-10+.
What are the key properties of tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate?
tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate has a molecular weight of 335.45 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamate is sourced from PubChem (CID 14395679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).