N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide

C28H25NO5 — CID 71536720

IUPACN-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide
SMILESCC(=O)NC(c1ccccc1)C(C(=O)/C=C/c1cccc(O)c1)C(=O)/C=C/c1cccc(O)c1
InChIInChI=1S/C28H25NO5/c1-19(30)29-28(22-9-3-2-4-10-22)27(25(33)15-13-20-7-5-11-23(31)17-20)26(34)16-14-21-8-6-12-24(32)18-21/h2-18,27-28,31-32H,1H3,(H,29,30)/b15-13+,16-14+
InChIKeyFMWZDLJVMOFXAS-WXUKJITCSA-N
MW455.51 g/mol
LogP4.46
Rot. Bonds9

About N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide

N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide (PubChem CID 71536720) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide
PubChem CID71536720
Molecular FormulaC28H25NO5
Molecular Weight455.51 g/mol
Exact Mass455.17
IUPAC NameN-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide
SMILESCC(=O)NC(c1ccccc1)C(C(=O)/C=C/c1cccc(O)c1)C(=O)/C=C/c1cccc(O)c1
InChIInChI=1S/C28H25NO5/c1-19(30)29-28(22-9-3-2-4-10-22)27(25(33)15-13-20-7-5-11-23(31)17-20)26(34)16-14-21-8-6-12-24(32)18-21/h2-18,27-28,31-32H,1H3,(H,29,30)/b15-13+,16-14+
InChIKeyFMWZDLJVMOFXAS-WXUKJITCSA-N
XLogP4.46
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3-hydroxyphenyl)-2-[3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]prop-2-enamide
CID 78103158
N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide
CID 78102622
4-[(1E,6E)-4-[acetamido-(4-carboxyphenyl)methyl]-7-(4-carboxyphenyl)-3,5-dioxohepta-1,6-dienyl]benzoic acid
CID 89473348
N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide
CID 71375700
N-[(E)-1-(3-bromophenyl)-5-(4-hydroxy-3-methoxyphenyl)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxopent-4-enyl]acetamide
CID 71535628
N-[5-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxo-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]acetamide
CID 78102524
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide
CID 11680133
4-[(E)-5-(3,5-dihydroxyphenyl)-2-[(E)-3-(3,5-dihydroxyphenyl)prop-2-enoyl]-3-oxo-1-(prop-2-enoylamino)pent-4-enyl]benzoic acid
CID 71537006
N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide
CID 71535344
N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide
CID 129415662
2-[3-(3-hydroxyphenyl)prop-2-enoylamino]butanedioic acid
CID 174909051

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide?
The IUPAC name of N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide (CID 71536720) is N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide.
What is the SMILES notation for N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide?
The canonical SMILES for N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide is CC(=O)NC(c1ccccc1)C(C(=O)/C=C/c1cccc(O)c1)C(=O)/C=C/c1cccc(O)c1.
What is the InChIKey of N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide?
The InChIKey is FMWZDLJVMOFXAS-WXUKJITCSA-N. The full InChI is InChI=1S/C28H25NO5/c1-19(30)29-28(22-9-3-2-4-10-22)27(25(33)15-13-20-7-5-11-23(31)17-20)26(34)16-14-21-8-6-12-24(32)18-21/h2-18,27-28,31-32H,1H3,(H,29,30)/b15-13+,16-14+.
What are the key properties of N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide?
N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide has a molecular weight of 455.51 g/mol, XLogP of 4.46, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-(3-hydroxyphenyl)-2-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide is sourced from PubChem (CID 71536720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).