N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide

C19H22N2O4 — CID 9215270

IUPACN-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(OC(C)C)cc2)cc(OC)c1
InChIInChI=1S/C19H22N2O4/c1-13(2)25-16-7-5-15(6-8-16)19(22)21-20-12-14-9-17(23-3)11-18(10-14)24-4/h5-13H,1-4H3,(H,21,22)/b20-12-
InChIKeyDFNVKDCFEAVDHM-NDENLUEZSA-N
MW342.40 g/mol
LogP3.25
Rot. Bonds7

About N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215270) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215270
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(OC(C)C)cc2)cc(OC)c1
InChIInChI=1S/C19H22N2O4/c1-13(2)25-16-7-5-15(6-8-16)19(22)21-20-12-14-9-17(23-3)11-18(10-14)24-4/h5-13H,1-4H3,(H,21,22)/b20-12-
InChIKeyDFNVKDCFEAVDHM-NDENLUEZSA-N
XLogP3.25
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.25
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-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 7414381
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 174239578
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215777
4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509128
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
N-[(E)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 6133035
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide (CID 9215270) is N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide is COc1cc(/C=N\NC(=O)c2ccc(OC(C)C)cc2)cc(OC)c1.
What is the InChIKey of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is DFNVKDCFEAVDHM-NDENLUEZSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)25-16-7-5-15(6-8-16)19(22)21-20-12-14-9-17(23-3)11-18(10-14)24-4/h5-13H,1-4H3,(H,21,22)/b20-12-.
What are the key properties of N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).