N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

C21H25N3O5 — CID 4034842

IUPACN-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)NC(C)C(=O)NN=Cc2cccc(OC)c2OC)cc1
InChIInChI=1S/C21H25N3O5/c1-14(23-19(25)12-15-8-10-17(27-2)11-9-15)21(26)24-22-13-16-6-5-7-18(28-3)20(16)29-4/h5-11,13-14H,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyUDKBIRGCCNACLO-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.91
Rot. Bonds9

About N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide

N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (PubChem CID 4034842) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
PubChem CID4034842
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)NC(C)C(=O)NN=Cc2cccc(OC)c2OC)cc1
InChIInChI=1S/C21H25N3O5/c1-14(23-19(25)12-15-8-10-17(27-2)11-9-15)21(26)24-22-13-16-6-5-7-18(28-3)20(16)29-4/h5-11,13-14H,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyUDKBIRGCCNACLO-UHFFFAOYSA-N
XLogP1.91
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.91
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

2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(3-methoxy-2-propoxyphenyl)methylideneamino]propanamide
CID 3459146
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(2-propoxyphenyl)methylideneamino]propanamide
CID 4569895
N-[(2-ethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 5213834
N-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3467471
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3693405
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 3953884
N-[1-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3922997
N-[1-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 135613798
N-[(5-bromo-2-butoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3902744
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4575722
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 2851618
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5055270

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (CID 4034842) is N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is COc1ccc(CC(=O)NC(C)C(=O)NN=Cc2cccc(OC)c2OC)cc1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The InChIKey is UDKBIRGCCNACLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-14(23-19(25)12-15-8-10-17(27-2)11-9-15)21(26)24-22-13-16-6-5-7-18(28-3)20(16)29-4/h5-11,13-14H,12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide has a molecular weight of 399.45 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 4034842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).