N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide

C19H22N2O4 — CID 6876665

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide
SMILESCOc1ccc(/C=N/NC(=O)CCOc2ccccc2C)cc1OC
InChIInChI=1S/C19H22N2O4/c1-14-6-4-5-7-16(14)25-11-10-19(22)21-20-13-15-8-9-17(23-2)18(12-15)24-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,22)/b20-13+
InChIKeySFWJOSOXBFQRSM-DEDYPNTBSA-N
MW342.40 g/mol
LogP2.93
Rot. Bonds8

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide (PubChem CID 6876665) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide
PubChem CID6876665
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide
SMILESCOc1ccc(/C=N/NC(=O)CCOc2ccccc2C)cc1OC
InChIInChI=1S/C19H22N2O4/c1-14-6-4-5-7-16(14)25-11-10-19(22)21-20-13-15-8-9-17(23-2)18(12-15)24-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,22)/b20-13+
InChIKeySFWJOSOXBFQRSM-DEDYPNTBSA-N
XLogP2.93
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide (CID 6876665) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide is COc1ccc(/C=N/NC(=O)CCOc2ccccc2C)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide?
The InChIKey is SFWJOSOXBFQRSM-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14-6-4-5-7-16(14)25-11-10-19(22)21-20-13-15-8-9-17(23-2)18(12-15)24-3/h4-9,12-13H,10-11H2,1-3H3,(H,21,22)/b20-13+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide has a molecular weight of 342.40 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 6876665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).