4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide

C30H30N4O7 — CID 5472082

IUPAC4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)N=C1c1ccccc1
InChIInChI=1S/C30H30N4O7/c1-6-41-24-17-21(31-18(2)35)12-13-22(24)29(36)33-34-28(20-10-8-7-9-11-20)32-23(30(34)37)14-19-15-25(38-3)27(40-5)26(16-19)39-4/h7-17H,6H2,1-5H3,(H,31,35)(H,33,36)/b23-14-
InChIKeyXTIRDAYORCDVIK-UCQKPKSFSA-N
MW558.59 g/mol
LogP4.04
Rot. Bonds10

About 4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide

4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide (PubChem CID 5472082) has the molecular formula C30H30N4O7 and a molecular weight of 558.59 g/mol. Its IUPAC name is 4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide
PubChem CID5472082
Molecular FormulaC30H30N4O7
Molecular Weight558.59 g/mol
Exact Mass558.21
IUPAC Name4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)N=C1c1ccccc1
InChIInChI=1S/C30H30N4O7/c1-6-41-24-17-21(31-18(2)35)12-13-22(24)29(36)33-34-28(20-10-8-7-9-11-20)32-23(30(34)37)14-19-15-25(38-3)27(40-5)26(16-19)39-4/h7-17H,6H2,1-5H3,(H,31,35)(H,33,36)/b23-14-
InChIKeyXTIRDAYORCDVIK-UCQKPKSFSA-N
XLogP4.04
TPSA127.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.59
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide
CID 5472047
1-(2-methoxy-5-methylphenyl)-3-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]thiourea
CID 11734170
(2S)-2-(4-chlorophenyl)-3-methyl-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]butanamide
CID 5498819
(5Z)-3-(4-bromophenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 45105651
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
1,5-dimethyl-4-[5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]-2-phenylpyrazol-3-one
CID 1274959
4-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzenesulfonamide
CID 162395686
5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one
CID 3709387
3-(2,4-dimethylphenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 6617680
N-[4-[[[(S)-cyano-(3,4,5-trimethoxyphenyl)methyl]amino]carbamoyl]-3-ethoxyphenyl]acetamide
CID 1276901
N-[4-[[4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 1275634
N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 6979157

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide?
The IUPAC name of 4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide (CID 5472082) is 4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide.
What is the SMILES notation for 4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide?
The canonical SMILES for 4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide is CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)N=C1c1ccccc1.
What is the InChIKey of 4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide?
The InChIKey is XTIRDAYORCDVIK-UCQKPKSFSA-N. The full InChI is InChI=1S/C30H30N4O7/c1-6-41-24-17-21(31-18(2)35)12-13-22(24)29(36)33-34-28(20-10-8-7-9-11-20)32-23(30(34)37)14-19-15-25(38-3)27(40-5)26(16-19)39-4/h7-17H,6H2,1-5H3,(H,31,35)(H,33,36)/b23-14-.
What are the key properties of 4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide?
4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide has a molecular weight of 558.59 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide is sourced from PubChem (CID 5472082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).