2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide

C26H28N2O — CID 143247598

IUPAC2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide
SMILESC/C=C\C(=C/C)c1ccc(C#C/C(=C/CN(C)CC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-4-9-22(5-2)24-15-12-21(13-16-24)14-17-25(23-10-7-6-8-11-23)18-19-28(3)20-26(27)29/h4-13,15-16,18H,19-20H2,1-3H3,(H2,27,29)/b9-4-,22-5+,25-18-
InChIKeyVEPIVUUGAROCHK-GBESDKEBSA-N
MW384.52 g/mol
LogP4.52
Rot. Bonds7

About 2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide

2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide (PubChem CID 143247598) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide
PubChem CID143247598
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide
SMILESC/C=C\C(=C/C)c1ccc(C#C/C(=C/CN(C)CC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-4-9-22(5-2)24-15-12-21(13-16-24)14-17-25(23-10-7-6-8-11-23)18-19-28(3)20-26(27)29/h4-13,15-16,18H,19-20H2,1-3H3,(H2,27,29)/b9-4-,22-5+,25-18-
InChIKeyVEPIVUUGAROCHK-GBESDKEBSA-N
XLogP4.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(4-methoxyphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 73448058
2-[[(E)-5-(4-methoxyphenyl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 18517080
2-[methyl-[3-phenyl-5-(4-propylphenyl)pent-2-en-4-ynyl]amino]acetic acid
CID 85040478
2-[methyl-[3-phenyl-5-(4-thiophen-3-ylphenyl)pent-2-en-4-ynyl]amino]acetic acid
CID 85045559
2-[methyl-[(E)-5-naphthalen-1-yl-3-phenylpent-2-en-4-ynyl]amino]acetic acid
CID 18517051
2-[[3-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid;2-[methyl-[5-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]pent-2-en-4-ynyl]amino]acetic acid
CID 162092414
2-[[3-(2-chlorophenyl)-5-(4-propylphenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
CID 85336220
(E)-6,8-diphenyloct-5-en-7-yn-2-one
CID 14925232
2-[[(E)-5-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)pent-2-en-4-ynyl]-methylamino]acetic acid
CID 10109533
2-[[3-(4-fluorophenyl)-5-trimethylsilylpent-2-en-4-ynyl]-methylamino]acetic acid
CID 90797501
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline
CID 135243485

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide?
The IUPAC name of 2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide (CID 143247598) is 2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide?
The canonical SMILES for 2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide is C/C=C\C(=C/C)c1ccc(C#C/C(=C/CN(C)CC(N)=O)c2ccccc2)cc1.
What is the InChIKey of 2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide?
The InChIKey is VEPIVUUGAROCHK-GBESDKEBSA-N. The full InChI is InChI=1S/C26H28N2O/c1-4-9-22(5-2)24-15-12-21(13-16-24)14-17-25(23-10-7-6-8-11-23)18-19-28(3)20-26(27)29/h4-13,15-16,18H,19-20H2,1-3H3,(H2,27,29)/b9-4-,22-5+,25-18-.
What are the key properties of 2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide?
2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide has a molecular weight of 384.52 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3-phenylpent-2-en-4-ynyl]-methylamino]acetamide is sourced from PubChem (CID 143247598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).