N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide

C30H29N3O5 — CID 5027683

IUPACN-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1
InChIInChI=1S/C30H29N3O5/c1-3-37-25-14-12-24(13-15-25)32-29(34)18-30(35)33-31-19-21-11-16-27(28(17-21)36-2)38-20-23-9-6-8-22-7-4-5-10-26(22)23/h4-17,19H,3,18,20H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyHRAXMVDACNOFCG-UHFFFAOYSA-N
MW511.58 g/mol
LogP5.30
Rot. Bonds11

About N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide

N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide (PubChem CID 5027683) has the molecular formula C30H29N3O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide
PubChem CID5027683
Molecular FormulaC30H29N3O5
Molecular Weight511.58 g/mol
Exact Mass511.21
IUPAC NameN-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1
InChIInChI=1S/C30H29N3O5/c1-3-37-25-14-12-24(13-15-25)32-29(34)18-30(35)33-31-19-21-11-16-27(28(17-21)36-2)38-20-23-9-6-8-22-7-4-5-10-26(22)23/h4-17,19H,3,18,20H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyHRAXMVDACNOFCG-UHFFFAOYSA-N
XLogP5.30
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 55.30
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'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4088877
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 4519852
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 3904306
N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658857
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 4313414
2-(4-chlorophenoxy)-N-[(Z)-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 94847908
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 132913572
N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4557774
N-(4-methoxyphenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3486320
2-(4-fluorophenyl)-N-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 96885263
N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4094540
4-methoxy-N-[3-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 5154417

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide (CID 5027683) is N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide is CCOc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide?
The InChIKey is HRAXMVDACNOFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5/c1-3-37-25-14-12-24(13-15-25)32-29(34)18-30(35)33-31-19-21-11-16-27(28(17-21)36-2)38-20-23-9-6-8-22-7-4-5-10-26(22)23/h4-17,19H,3,18,20H2,1-2H3,(H,32,34)(H,33,35).
What are the key properties of N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide?
N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide has a molecular weight of 511.58 g/mol, XLogP of 5.30, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide is sourced from PubChem (CID 5027683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).