N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide

C32H27N3O5 — CID 122177924

IUPACN-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=C3\N=C(c4ccccc4)N(c4ccc(OC)cc4)C3=O)cc2)cc1
InChIInChI=1S/C32H27N3O5/c1-38-26-16-10-24(11-17-26)33-30(36)21-40-28-14-8-22(9-15-28)20-29-32(37)35(25-12-18-27(39-2)19-13-25)31(34-29)23-6-4-3-5-7-23/h3-20H,21H2,1-2H3,(H,33,36)/b29-20-
InChIKeyOJSJZUVJRVIKSH-BRPDVVIDSA-N
MW533.58 g/mol
LogP5.56
Rot. Bonds9

About N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide

N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide (PubChem CID 122177924) has the molecular formula C32H27N3O5 and a molecular weight of 533.58 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide
PubChem CID122177924
Molecular FormulaC32H27N3O5
Molecular Weight533.58 g/mol
Exact Mass533.20
IUPAC NameN-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=C3\N=C(c4ccccc4)N(c4ccc(OC)cc4)C3=O)cc2)cc1
InChIInChI=1S/C32H27N3O5/c1-38-26-16-10-24(11-17-26)33-30(36)21-40-28-14-8-22(9-15-28)20-29-32(37)35(25-12-18-27(39-2)19-13-25)31(34-29)23-6-4-3-5-7-23/h3-20H,21H2,1-2H3,(H,33,36)/b29-20-
InChIKeyOJSJZUVJRVIKSH-BRPDVVIDSA-N
XLogP5.56
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.58
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide (CID 122177924) is N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide is COc1ccc(NC(=O)COc2ccc(/C=C3\N=C(c4ccccc4)N(c4ccc(OC)cc4)C3=O)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?
The InChIKey is OJSJZUVJRVIKSH-BRPDVVIDSA-N. The full InChI is InChI=1S/C32H27N3O5/c1-38-26-16-10-24(11-17-26)33-30(36)21-40-28-14-8-22(9-15-28)20-29-32(37)35(25-12-18-27(39-2)19-13-25)31(34-29)23-6-4-3-5-7-23/h3-20H,21H2,1-2H3,(H,33,36)/b29-20-.
What are the key properties of N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide?
N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide has a molecular weight of 533.58 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 122177924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).