2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide

C25H32N4O4 — CID 6413143

IUPAC2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)Cc1ccc(OC(C)C)cc1)=N/NC(=O)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C25H32N4O4/c1-17(2)32-22-10-6-20(7-11-22)14-24(30)28-26-16-19(5)27-29-25(31)15-21-8-12-23(13-9-21)33-18(3)4/h6-13,16-18H,14-15H2,1-5H3,(H,28,30)(H,29,31)/b26-16-,27-19-
InChIKeyLDDHZUOKFGSCJY-VDJRNTHPSA-N
MW452.56 g/mol
LogP3.64
Rot. Bonds11

About 2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide

2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide (PubChem CID 6413143) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide
PubChem CID6413143
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)Cc1ccc(OC(C)C)cc1)=N/NC(=O)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C25H32N4O4/c1-17(2)32-22-10-6-20(7-11-22)14-24(30)28-26-16-19(5)27-29-25(31)15-21-8-12-23(13-9-21)33-18(3)4/h6-13,16-18H,14-15H2,1-5H3,(H,28,30)(H,29,31)/b26-16-,27-19-
InChIKeyLDDHZUOKFGSCJY-VDJRNTHPSA-N
XLogP3.64
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide
CID 6799100
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550
N-[(E)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126367979
N-(3-amino-2-methylpropyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 115271689
2-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 57248551
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
2-(2,4-dimethylphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657846
3-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 915937
methyl 2-[(4-propan-2-yloxyphenyl)methyl]prop-2-enoate
CID 62706893
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515446
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide (CID 6413143) is 2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide is CC(/C=N\NC(=O)Cc1ccc(OC(C)C)cc1)=N/NC(=O)Cc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide?
The InChIKey is LDDHZUOKFGSCJY-VDJRNTHPSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-17(2)32-22-10-6-20(7-11-22)14-24(30)28-26-16-19(5)27-29-25(31)15-21-8-12-23(13-9-21)33-18(3)4/h6-13,16-18H,14-15H2,1-5H3,(H,28,30)(H,29,31)/b26-16-,27-19-.
What are the key properties of 2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide?
2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide has a molecular weight of 452.56 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide is sourced from PubChem (CID 6413143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).