N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide

C18H19N3O4 — CID 3455100

IUPACN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
SMILESCOc1ccc(OC)c(C=NNC(=O)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19N3O4/c1-24-15-8-9-16(25-2)13(10-15)12-19-21-18(23)11-17(22)20-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRCTCTPWGWNRQOJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.18
Rot. Bonds7

About N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide

N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide (PubChem CID 3455100) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
PubChem CID3455100
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
SMILESCOc1ccc(OC)c(C=NNC(=O)CC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19N3O4/c1-24-15-8-9-16(25-2)13(10-15)12-19-21-18(23)11-17(22)20-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRCTCTPWGWNRQOJ-UHFFFAOYSA-N
XLogP2.18
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3295281
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
CID 4552108
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846398
N'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
CID 5003294
N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3928053
N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5227321
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide?
The IUPAC name of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide (CID 3455100) is N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide.
What is the SMILES notation for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide?
The canonical SMILES for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide is COc1ccc(OC)c(C=NNC(=O)CC(=O)Nc2ccccc2)c1.
What is the InChIKey of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide?
The InChIKey is RCTCTPWGWNRQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-15-8-9-16(25-2)13(10-15)12-19-21-18(23)11-17(22)20-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide?
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide has a molecular weight of 341.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide is sourced from PubChem (CID 3455100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).