N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide

C26H29N3O4 — CID 3455562

IUPACN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
SMILESCCCCOc1ccc2ccccc2c1C=NNC(=O)CC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C26H29N3O4/c1-3-5-16-33-24-15-10-19-8-6-7-9-22(19)23(24)18-27-29-26(31)17-25(30)28-20-11-13-21(14-12-20)32-4-2/h6-15,18H,3-5,16-17H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyCGVXEFVGGUOKCJ-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.90
Rot. Bonds11

About N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide

N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide (PubChem CID 3455562) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
PubChem CID3455562
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
SMILESCCCCOc1ccc2ccccc2c1C=NNC(=O)CC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C26H29N3O4/c1-3-5-16-33-24-15-10-19-8-6-7-9-22(19)23(24)18-27-29-26(31)17-25(30)28-20-11-13-21(14-12-20)32-4-2/h6-15,18H,3-5,16-17H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyCGVXEFVGGUOKCJ-UHFFFAOYSA-N
XLogP4.90
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5151939
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3968962
N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 3675600
N-[(2-butoxynaphthalen-1-yl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3924972
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
2-(4-methoxyphenyl)-N-[(E)-(2-propoxynaphthalen-1-yl)methylideneamino]acetamide
CID 21370849
[1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6026070
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3990640
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
2-(4-butoxyphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4601287
[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6156832
N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide
CID 9120788

Frequently Asked Questions

What is the IUPAC name of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide?
The IUPAC name of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide (CID 3455562) is N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide.
What is the SMILES notation for N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide?
The canonical SMILES for N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide is CCCCOc1ccc2ccccc2c1C=NNC(=O)CC(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide?
The InChIKey is CGVXEFVGGUOKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-3-5-16-33-24-15-10-19-8-6-7-9-22(19)23(24)18-27-29-26(31)17-25(30)28-20-11-13-21(14-12-20)32-4-2/h6-15,18H,3-5,16-17H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide?
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide has a molecular weight of 447.54 g/mol, XLogP of 4.90, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide is sourced from PubChem (CID 3455562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).