N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide

C21H20N2O3 — CID 92840931

IUPACN-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C\C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H20N2O3/c1-15(24)22-19-9-3-17(4-10-19)7-13-21(26)14-8-18-5-11-20(12-6-18)23-16(2)25/h3-14H,1-2H3,(H,22,24)(H,23,25)/b13-7-,14-8+
InChIKeyVCHAUTKELJAWIB-MFUUIURDSA-N
MW348.40 g/mol
LogP3.90
Rot. Bonds6

About N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide

N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide (PubChem CID 92840931) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
PubChem CID92840931
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C\C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H20N2O3/c1-15(24)22-19-9-3-17(4-10-19)7-13-21(26)14-8-18-5-11-20(12-6-18)23-16(2)25/h3-14H,1-2H3,(H,22,24)(H,23,25)/b13-7-,14-8+
InChIKeyVCHAUTKELJAWIB-MFUUIURDSA-N
XLogP3.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide
CID 23455779
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522
N-[4-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]phenyl]acetamide
CID 143732890
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
4-[(E)-3-(4-acetamidoanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134040656
N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide
CID 91823894
(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857373
(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride
CID 23469627
N-[4-[(E)-3-(4-methyl-1,4-diazepan-1-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 78839205
(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 51339871
N-[4-(4-chlorobut-1-enyl)phenyl]acetamide
CID 170499596

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide (CID 92840931) is N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C\C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide?
The InChIKey is VCHAUTKELJAWIB-MFUUIURDSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15(24)22-19-9-3-17(4-10-19)7-13-21(26)14-8-18-5-11-20(12-6-18)23-16(2)25/h3-14H,1-2H3,(H,22,24)(H,23,25)/b13-7-,14-8+.
What are the key properties of N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide?
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide has a molecular weight of 348.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide is sourced from PubChem (CID 92840931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).