2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid

C34H43N3O5 — CID 129090409

IUPAC2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid
SMILESCCN(C=O)/C(CCCc1ccc(-c2ccc(OC)c(CC(=O)O)c2)cc1O)=N\N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C34H43N3O5/c1-7-37(23-38)32(35-36(5)22-24-11-16-29(17-12-24)34(2,3)4)10-8-9-25-13-14-27(20-30(25)39)26-15-18-31(42-6)28(19-26)21-33(40)41/h11-20,23,39H,7-10,21-22H2,1-6H3,(H,40,41)/b35-32-
InChIKeyOKWNFDVVEGQVQC-JCUPVDEDSA-N
MW573.73 g/mol
LogP6.24
Rot. Bonds13

About 2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid

2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid (PubChem CID 129090409) has the molecular formula C34H43N3O5 and a molecular weight of 573.73 g/mol. Its IUPAC name is 2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid
PubChem CID129090409
Molecular FormulaC34H43N3O5
Molecular Weight573.73 g/mol
Exact Mass573.32
IUPAC Name2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid
SMILESCCN(C=O)/C(CCCc1ccc(-c2ccc(OC)c(CC(=O)O)c2)cc1O)=N\N(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C34H43N3O5/c1-7-37(23-38)32(35-36(5)22-24-11-16-29(17-12-24)34(2,3)4)10-8-9-25-13-14-27(20-30(25)39)26-15-18-31(42-6)28(19-26)21-33(40)41/h11-20,23,39H,7-10,21-22H2,1-6H3,(H,40,41)/b35-32-
InChIKeyOKWNFDVVEGQVQC-JCUPVDEDSA-N
XLogP6.24
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.73
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid?
The IUPAC name of 2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid (CID 129090409) is 2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid is CCN(C=O)/C(CCCc1ccc(-c2ccc(OC)c(CC(=O)O)c2)cc1O)=N\N(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid?
The InChIKey is OKWNFDVVEGQVQC-JCUPVDEDSA-N. The full InChI is InChI=1S/C34H43N3O5/c1-7-37(23-38)32(35-36(5)22-24-11-16-29(17-12-24)34(2,3)4)10-8-9-25-13-14-27(20-30(25)39)26-15-18-31(42-6)28(19-26)21-33(40)41/h11-20,23,39H,7-10,21-22H2,1-6H3,(H,40,41)/b35-32-.
What are the key properties of 2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid?
2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid has a molecular weight of 573.73 g/mol, XLogP of 6.24, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[(4Z)-4-[(4-tert-butylphenyl)methyl-methylhydrazinylidene]-4-[ethyl(formyl)amino]butyl]-3-hydroxyphenyl]-2-methoxyphenyl]acetic acid is sourced from PubChem (CID 129090409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).