N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide

C23H22N2O5 — CID 3406373

IUPACN-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide
SMILESCOc1ccc(OC)c(C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C23H22N2O5/c1-27-20-13-14-21(28-2)17(15-20)16-24-25-22(26)23(29-18-9-5-3-6-10-18)30-19-11-7-4-8-12-19/h3-16,23H,1-2H3,(H,25,26)
InChIKeyMVOQJFSEYADPRW-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.64
Rot. Bonds9

About N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide

N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide (PubChem CID 3406373) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide
PubChem CID3406373
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide
SMILESCOc1ccc(OC)c(C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C23H22N2O5/c1-27-20-13-14-21(28-2)17(15-20)16-24-25-22(26)23(29-18-9-5-3-6-10-18)30-19-11-7-4-8-12-19/h3-16,23H,1-2H3,(H,25,26)
InChIKeyMVOQJFSEYADPRW-UHFFFAOYSA-N
XLogP3.64
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
(2S)-2-(benzenesulfonamido)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methylbutanamide
CID 7034036
2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide
CID 4108357
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846398
(2S)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126034810
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3455100
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-methyloxamide
CID 126140196
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556
trans-(1S,2S)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6588159
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6873936

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide (CID 3406373) is N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide is COc1ccc(OC)c(C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide?
The InChIKey is MVOQJFSEYADPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-27-20-13-14-21(28-2)17(15-20)16-24-25-22(26)23(29-18-9-5-3-6-10-18)30-19-11-7-4-8-12-19/h3-16,23H,1-2H3,(H,25,26).
What are the key properties of N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide?
N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide has a molecular weight of 406.44 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide is sourced from PubChem (CID 3406373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).