4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide

C22H27N3O3 — CID 6297900

IUPAC4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-15(16-8-12-19(28-5)13-9-16)24-25-20(26)14-23-21(27)17-6-10-18(11-7-17)22(2,3)4/h6-13H,14H2,1-5H3,(H,23,27)(H,25,26)/b24-15+
InChIKeyJPWSOGLPPHRHDY-BUVRLJJBSA-N
MW381.48 g/mol
LogP3.26
Rot. Bonds6

About 4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 6297900) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID6297900
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-15(16-8-12-19(28-5)13-9-16)24-25-20(26)14-23-21(27)17-6-10-18(11-7-17)22(2,3)4/h6-13H,14H2,1-5H3,(H,23,27)(H,25,26)/b24-15+
InChIKeyJPWSOGLPPHRHDY-BUVRLJJBSA-N
XLogP3.26
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxy-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3487229
N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 3757889
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
CID 17340092
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
2-(4-tert-butylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135560522
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6322344
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 6297900) is 4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is JPWSOGLPPHRHDY-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15(16-8-12-19(28-5)13-9-16)24-25-20(26)14-23-21(27)17-6-10-18(11-7-17)22(2,3)4/h6-13H,14H2,1-5H3,(H,23,27)(H,25,26)/b24-15+.
What are the key properties of 4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 6297900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).