N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide

C25H26ClN3O3 — CID 3990640

IUPACN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide
SMILESCCCCOc1ccc2ccccc2c1C=NNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H26ClN3O3/c1-2-3-16-32-23-13-12-18-8-4-5-9-19(18)20(23)17-27-29-25(31)15-14-24(30)28-22-11-7-6-10-21(22)26/h4-13,17H,2-3,14-16H2,1H3,(H,28,30)(H,29,31)
InChIKeyIVFLUBFRYPPMAK-UHFFFAOYSA-N
MW451.95 g/mol
LogP5.54
Rot. Bonds10

About N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide

N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide (PubChem CID 3990640) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide.

Molecular Properties

Compound NameN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide
PubChem CID3990640
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC NameN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide
SMILESCCCCOc1ccc2ccccc2c1C=NNC(=O)CCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H26ClN3O3/c1-2-3-16-32-23-13-12-18-8-4-5-9-19(18)20(23)17-27-29-25(31)15-14-24(30)28-22-11-7-6-10-21(22)26/h4-13,17H,2-3,14-16H2,1H3,(H,28,30)(H,29,31)
InChIKeyIVFLUBFRYPPMAK-UHFFFAOYSA-N
XLogP5.54
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.95
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-chlorophenyl)-N'-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 4612998
N-(2,3-dimethylphenyl)-N'-[(2-ethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 4988186
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5151939
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3455562
N-(2-methoxyphenyl)-N'-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 5040927
N'-[(5-bromo-2-propoxyphenyl)methylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3284699
N-[3-[2-[(2-butoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4588137
[1-[(Z)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6164462
N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3911519
N-(4-methylphenyl)-N'-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 5021549
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3968962

Frequently Asked Questions

What is the IUPAC name of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide?
The IUPAC name of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide (CID 3990640) is N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide.
What is the SMILES notation for N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide?
The canonical SMILES for N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide is CCCCOc1ccc2ccccc2c1C=NNC(=O)CCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide?
The InChIKey is IVFLUBFRYPPMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-2-3-16-32-23-13-12-18-8-4-5-9-19(18)20(23)17-27-29-25(31)15-14-24(30)28-22-11-7-6-10-21(22)26/h4-13,17H,2-3,14-16H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide?
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide has a molecular weight of 451.95 g/mol, XLogP of 5.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide is sourced from PubChem (CID 3990640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).