N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide

C25H27N3O4 — CID 3968962

IUPACN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
SMILESCCCCOc1ccc2ccccc2c1C=NNC(=O)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C25H27N3O4/c1-3-4-14-32-23-13-12-18-8-5-6-11-21(18)22(23)17-26-28-25(30)16-24(29)27-19-9-7-10-20(15-19)31-2/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyQZSNABCLUIUTDX-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.51
Rot. Bonds10

About N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide

N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide (PubChem CID 3968962) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
PubChem CID3968962
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
SMILESCCCCOc1ccc2ccccc2c1C=NNC(=O)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C25H27N3O4/c1-3-4-14-32-23-13-12-18-8-5-6-11-21(18)22(23)17-26-28-25(30)16-24(29)27-19-9-7-10-20(15-19)31-2/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyQZSNABCLUIUTDX-UHFFFAOYSA-N
XLogP4.51
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.51
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-(4-ethoxyphenyl)propanediamide
CID 3455562
2-(4-methoxyphenyl)-N-[(E)-(2-propoxynaphthalen-1-yl)methylideneamino]acetamide
CID 21370849
N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5227321
N-[(2-butoxynaphthalen-1-yl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3924972
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3295281
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208685
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
CID 110505987
N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 3675600
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3495029
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide
CID 126027142

Frequently Asked Questions

What is the IUPAC name of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide?
The IUPAC name of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide (CID 3968962) is N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide.
What is the SMILES notation for N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide?
The canonical SMILES for N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide is CCCCOc1ccc2ccccc2c1C=NNC(=O)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide?
The InChIKey is QZSNABCLUIUTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-3-4-14-32-23-13-12-18-8-5-6-11-21(18)22(23)17-26-28-25(30)16-24(29)27-19-9-7-10-20(15-19)31-2/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide?
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide has a molecular weight of 433.51 g/mol, XLogP of 4.51, 10 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-(3-methoxyphenyl)propanediamide is sourced from PubChem (CID 3968962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).