N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide

C22H18N2O4 — CID 2592939

IUPACN-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H18N2O4/c25-22(18-8-11-20-21(12-18)28-15-27-20)24-23-13-16-6-9-19(10-7-16)26-14-17-4-2-1-3-5-17/h1-13H,14-15H2,(H,24,25)
InChIKeyDYXKHWYDALYAIR-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.76
Rot. Bonds6

About N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide

N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide (PubChem CID 2592939) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
PubChem CID2592939
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H18N2O4/c25-22(18-8-11-20-21(12-18)28-15-27-20)24-23-13-16-6-9-19(10-7-16)26-14-17-4-2-1-3-5-17/h1-13H,14-15H2,(H,24,25)
InChIKeyDYXKHWYDALYAIR-UHFFFAOYSA-N
XLogP3.76
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
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-[3-methyl-1-oxo-1-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]butan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 3625204
N-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-tert-butylphenoxy)methyl]benzamide
CID 6164401
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(Z)-(4-anilinophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9044893
[4-[(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 1048703
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
N-[(4-ethylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2592997
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide (CID 2592939) is N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
The InChIKey is DYXKHWYDALYAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-22(18-8-11-20-21(12-18)28-15-27-20)24-23-13-16-6-9-19(10-7-16)26-14-17-4-2-1-3-5-17/h1-13H,14-15H2,(H,24,25).
What are the key properties of N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide?
N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 2592939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).