N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

C26H27N3O4 — CID 3805270

IUPACN-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESCOc1ccc(C(C)=NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C26H27N3O4/c1-18(22-15-14-21(32-2)16-23(22)33-3)28-29-24(30)17-27-26(31)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,25H,17H2,1-3H3,(H,27,31)(H,29,30)
InChIKeyHVLNRJAOUSRBIX-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.49
Rot. Bonds9

About N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 3805270) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID3805270
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESCOc1ccc(C(C)=NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C26H27N3O4/c1-18(22-15-14-21(32-2)16-23(22)33-3)28-29-24(30)17-27-26(31)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,25H,17H2,1-3H3,(H,27,31)(H,29,30)
InChIKeyHVLNRJAOUSRBIX-UHFFFAOYSA-N
XLogP3.49
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 3324224
N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6322344
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
(2R)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
CID 8757489
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4234039
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 873045
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
2-(4-cyanophenoxy)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 9316574
2-(2,4-dichlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 4509528
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (CID 3805270) is N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is COc1ccc(C(C)=NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is HVLNRJAOUSRBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-18(22-15-14-21(32-2)16-23(22)33-3)28-29-24(30)17-27-26(31)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,25H,17H2,1-3H3,(H,27,31)(H,29,30).
What are the key properties of N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 445.52 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 3805270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).