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

C24H24FN3O3 — CID 5151939

IUPACN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide
SMILESCCCCOc1ccc2ccccc2c1C=NNC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H24FN3O3/c1-2-3-14-31-22-13-8-17-6-4-5-7-20(17)21(22)16-26-28-24(30)15-23(29)27-19-11-9-18(25)10-12-19/h4-13,16H,2-3,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyDYPKMEUOOHBOAS-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.64
Rot. Bonds9

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

N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide (PubChem CID 5151939) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide
PubChem CID5151939
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide
SMILESCCCCOc1ccc2ccccc2c1C=NNC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H24FN3O3/c1-2-3-14-31-22-13-8-17-6-4-5-7-20(17)21(22)16-26-28-24(30)15-23(29)27-19-11-9-18(25)10-12-19/h4-13,16H,2-3,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyDYPKMEUOOHBOAS-UHFFFAOYSA-N
XLogP4.64
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethoxyphenyl)propanediamide
CID 3455562
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3968962
2-(4-butoxyphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4601287
N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 3675600
N-(4-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3580883
N-[(2-butoxynaphthalen-1-yl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3924972
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3990640
N-[3-[2-[(2-butoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4588137
2-(4-methoxyphenyl)-N-[(E)-(2-propoxynaphthalen-1-yl)methylideneamino]acetamide
CID 21370849
N-[2-[2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5077393
N-(4-fluorophenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 4542662
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-fluorophenyl)propanediamide?
The IUPAC name of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide (CID 5151939) is N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide.
What is the SMILES notation for N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide?
The canonical SMILES for N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide is CCCCOc1ccc2ccccc2c1C=NNC(=O)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide?
The InChIKey is DYPKMEUOOHBOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-2-3-14-31-22-13-8-17-6-4-5-7-20(17)21(22)16-26-28-24(30)15-23(29)27-19-11-9-18(25)10-12-19/h4-13,16H,2-3,14-15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide?
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide has a molecular weight of 421.47 g/mol, XLogP of 4.64, 9 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-(4-fluorophenyl)propanediamide is sourced from PubChem (CID 5151939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).