N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide

C20H23N3O5 — CID 5115888

IUPACN'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
SMILESCCOc1c(C=NNC(=O)CC(=O)Nc2ccc(OC)cc2)cccc1OC
InChIInChI=1S/C20H23N3O5/c1-4-28-20-14(6-5-7-17(20)27-3)13-21-23-19(25)12-18(24)22-15-8-10-16(26-2)11-9-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZFAYPNYSEUJUHM-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.58
Rot. Bonds9

About N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide

N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide (PubChem CID 5115888) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
PubChem CID5115888
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
SMILESCCOc1c(C=NNC(=O)CC(=O)Nc2ccc(OC)cc2)cccc1OC
InChIInChI=1S/C20H23N3O5/c1-4-28-20-14(6-5-7-17(20)27-3)13-21-23-19(25)12-18(24)22-15-8-10-16(26-2)11-9-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZFAYPNYSEUJUHM-UHFFFAOYSA-N
XLogP2.58
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 5244595
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3495029
N-(4-ethoxyphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135679720
N-(2-chlorophenyl)-N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 5111842
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3910509
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4651811
N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3901959
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5227321
N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3928053
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The IUPAC name of N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide (CID 5115888) is N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide.
What is the SMILES notation for N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The canonical SMILES for N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide is CCOc1c(C=NNC(=O)CC(=O)Nc2ccc(OC)cc2)cccc1OC.
What is the InChIKey of N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
The InChIKey is ZFAYPNYSEUJUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-4-28-20-14(6-5-7-17(20)27-3)13-21-23-19(25)12-18(24)22-15-8-10-16(26-2)11-9-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide?
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide has a molecular weight of 385.42 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide is sourced from PubChem (CID 5115888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).