N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide

C23H25NO6 — CID 142912931

IUPACN-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N/C(C)=O)C(O)C2)cc1
InChIInChI=1S/C23H25NO6/c1-13(25)24-22-18(26)12-17(14-6-8-16(27-2)9-7-14)21(22)15-10-19(28-3)23(30-5)20(11-15)29-4/h6-11,18,26H,12H2,1-5H3/b24-22+
InChIKeySWEAKKBQECAISR-ZNTNEXAZSA-N
MW411.45 g/mol
LogP3.38
Rot. Bonds6

About N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide

N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide (PubChem CID 142912931) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide
PubChem CID142912931
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC NameN-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide
SMILESCOc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N/C(C)=O)C(O)C2)cc1
InChIInChI=1S/C23H25NO6/c1-13(25)24-22-18(26)12-17(14-6-8-16(27-2)9-7-14)21(22)15-10-19(28-3)23(30-5)20(11-15)29-4/h6-11,18,26H,12H2,1-5H3/b24-22+
InChIKeySWEAKKBQECAISR-ZNTNEXAZSA-N
XLogP3.38
TPSA86.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one
CID 10451790
5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-one
CID 10413063
4-(3-fluoro-4-methoxyphenyl)-2-imino-3-(3,4,5-trimethoxyphenyl)cyclopent-3-en-1-ol
CID 142912930
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185200
4-(3-chloro-4-methoxyphenyl)-2-imino-3-(3,4,5-trimethoxyphenyl)cyclopent-3-en-1-ol
CID 142912928
4-(3,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 142656705
[3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-yl] 4-methylbenzenesulfonate
CID 102243696
3-(3,4-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 72737042
6,7-dimethoxy-3-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene
CID 162399745
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiophene
CID 53388353

Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide?
The IUPAC name of N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide (CID 142912931) is N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide.
What is the SMILES notation for N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide?
The canonical SMILES for N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide is COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N/C(C)=O)C(O)C2)cc1.
What is the InChIKey of N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide?
The InChIKey is SWEAKKBQECAISR-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H25NO6/c1-13(25)24-22-18(26)12-17(14-6-8-16(27-2)9-7-14)21(22)15-10-19(28-3)23(30-5)20(11-15)29-4/h6-11,18,26H,12H2,1-5H3/b24-22+.
What are the key properties of N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide?
N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide has a molecular weight of 411.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ylidene]acetamide is sourced from PubChem (CID 142912931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).