2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide

C20H25N3O4 — CID 75539050

IUPAC2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(/C=N/NC(=O)C(C)Nc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O4/c1-13-7-6-8-16(9-13)22-14(2)20(24)23-21-12-15-10-17(25-3)19(27-5)18(11-15)26-4/h6-12,14,22H,1-5H3,(H,23,24)/b21-12+
InChIKeyQGTYMTGQFWRASM-CIAFOILYSA-N
MW371.44 g/mol
LogP2.97
Rot. Bonds8

About 2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide

2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide (PubChem CID 75539050) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
PubChem CID75539050
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
SMILESCOc1cc(/C=N/NC(=O)C(C)Nc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O4/c1-13-7-6-8-16(9-13)22-14(2)20(24)23-21-12-15-10-17(25-3)19(27-5)18(11-15)26-4/h6-12,14,22H,1-5H3,(H,23,24)/b21-12+
InChIKeyQGTYMTGQFWRASM-CIAFOILYSA-N
XLogP2.97
TPSA81.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(2S)-2-(4-methoxyanilino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 5431240
N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 75539036
(2S)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 136851962
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 135607119
(2R)-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 136720623
(2S)-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136670500
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 86771790
4-methoxy-N-[1-oxo-1-[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 4300570
(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide
CID 40571584
2-methoxy-2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 17389304
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854
N-(2-bromophenyl)-2-methyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]propanediamide
CID 4285375

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide (CID 75539050) is 2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide is COc1cc(/C=N/NC(=O)C(C)Nc2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of 2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
The InChIKey is QGTYMTGQFWRASM-CIAFOILYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-7-6-8-16(9-13)22-14(2)20(24)23-21-12-15-10-17(25-3)19(27-5)18(11-15)26-4/h6-12,14,22H,1-5H3,(H,23,24)/b21-12+.
What are the key properties of 2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide?
2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide has a molecular weight of 371.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 75539050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).