2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide

C24H25N3O3 — CID 71960236

IUPAC2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccccc1NC(C)C(=O)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H25N3O3/c1-18(26-21-13-7-9-15-23(21)29-2)24(28)27-25-16-20-12-6-8-14-22(20)30-17-19-10-4-3-5-11-19/h3-16,18,26H,17H2,1-2H3,(H,27,28)
InChIKeyBZBHWPNLVSNOKJ-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.22
Rot. Bonds9

About 2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide

2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide (PubChem CID 71960236) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
PubChem CID71960236
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccccc1NC(C)C(=O)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H25N3O3/c1-18(26-21-13-7-9-15-23(21)29-2)24(28)27-25-16-20-12-6-8-14-22(20)30-17-19-10-4-3-5-11-19/h3-16,18,26H,17H2,1-2H3,(H,27,28)
InChIKeyBZBHWPNLVSNOKJ-UHFFFAOYSA-N
XLogP4.22
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.22
H-Bond Donors ≤ 52
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

(2R)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 124834516
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 12005344
2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide
CID 5212708
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
(2S)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide
CID 6874274
(2R)-N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methylanilino)propanamide
CID 51661266
(2S)-N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyanilino)propanamide
CID 6874182
(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136851890
2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3978126
N-(4-methoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]-2-propan-2-ylpropanediamide
CID 4987126
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide (CID 71960236) is 2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide is COc1ccccc1NC(C)C(=O)NN=Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide?
The InChIKey is BZBHWPNLVSNOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-18(26-21-13-7-9-15-23(21)29-2)24(28)27-25-16-20-12-6-8-14-22(20)30-17-19-10-4-3-5-11-19/h3-16,18,26H,17H2,1-2H3,(H,27,28).
What are the key properties of 2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide?
2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide has a molecular weight of 403.48 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 71960236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).