(3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide

C28H29NO2 — CID 134873197

IUPAC(3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide
SMILESCO/C(=C(/C=C\C(C(=O)NC(C)C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29NO2/c1-21(2)29-28(30)26(23-15-9-5-10-16-23)20-19-25(22-13-7-4-8-14-22)27(31-3)24-17-11-6-12-18-24/h4-21,26H,1-3H3,(H,29,30)/b20-19-,27-25-
InChIKeyXDMFNIPTNDLEPV-KSZRARIFSA-N
MW411.55 g/mol
LogP6.07
Rot. Bonds8

About (3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide

(3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide (PubChem CID 134873197) has the molecular formula C28H29NO2 and a molecular weight of 411.55 g/mol. Its IUPAC name is (3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide
PubChem CID134873197
Molecular FormulaC28H29NO2
Molecular Weight411.55 g/mol
Exact Mass411.22
IUPAC Name(3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide
SMILESCO/C(=C(/C=C\C(C(=O)NC(C)C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29NO2/c1-21(2)29-28(30)26(23-15-9-5-10-16-23)20-19-25(22-13-7-4-8-14-22)27(31-3)24-17-11-6-12-18-24/h4-21,26H,1-3H3,(H,29,30)/b20-19-,27-25-
InChIKeyXDMFNIPTNDLEPV-KSZRARIFSA-N
XLogP6.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
Benzyl 2-[(2,2-diphenylacetyl)amino]acetate
CID 1100660
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
(+/-)-threo-Benzylphenidate
CID 52948225
Benzhydryl 2-[(2-phenylacetyl)amino]acetate
CID 1310474
N-(2-phenoxyethyl)-2,2-diphenylacetamide
CID 1839686
2-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 3405110
N-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-2,2-bis-(4-methoxy-phenyl)-acetamide
CID 10093851
N-[(1S,2R)-2-(4-Methoxy-phenyl)-cyclohexyl]-2,2-diphenyl-acetamide
CID 10548955
2-(4-Methoxyphenyl)-2-phenyl-N-(3,3-diphenylpropyl)-acetamide
CID 44578620
N-[1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-acetamide
CID 21753665

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide?
The IUPAC name of (3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide (CID 134873197) is (3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide is CO/C(=C(/C=C\C(C(=O)NC(C)C)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide?
The InChIKey is XDMFNIPTNDLEPV-KSZRARIFSA-N. The full InChI is InChI=1S/C28H29NO2/c1-21(2)29-28(30)26(23-15-9-5-10-16-23)20-19-25(22-13-7-4-8-14-22)27(31-3)24-17-11-6-12-18-24/h4-21,26H,1-3H3,(H,29,30)/b20-19-,27-25-.
What are the key properties of (3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide?
(3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide has a molecular weight of 411.55 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-methoxy-2,5,6-triphenyl-N-propan-2-ylhexa-3,5-dienamide is sourced from PubChem (CID 134873197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).