N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide

C27H23N3O3 — CID 3675600

IUPACN-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1)NN=Cc1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C27H23N3O3/c31-26(29-22-12-5-2-6-13-22)17-27(32)30-28-18-24-23-14-8-7-11-21(23)15-16-25(24)33-19-20-9-3-1-4-10-20/h1-16,18H,17,19H2,(H,29,31)(H,30,32)
InChIKeyHVYJFIGPYWUQOT-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.90
Rot. Bonds8

About N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide

N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide (PubChem CID 3675600) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
PubChem CID3675600
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC NameN-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1)NN=Cc1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C27H23N3O3/c31-26(29-22-12-5-2-6-13-22)17-27(32)30-28-18-24-23-14-8-7-11-21(23)15-16-25(24)33-19-20-9-3-1-4-10-20/h1-16,18H,17,19H2,(H,29,31)(H,30,32)
InChIKeyHVYJFIGPYWUQOT-UHFFFAOYSA-N
XLogP4.90
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3580883
N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide
CID 25251113
N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3911519
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'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide
CID 8901914
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 85032915
2-(2,4-dimethylphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 92657960
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
N'-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 3373679
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 6151114
1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea
CID 7346399

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide?
The IUPAC name of N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide (CID 3675600) is N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide.
What is the SMILES notation for N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide?
The canonical SMILES for N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide is O=C(CC(=O)Nc1ccccc1)NN=Cc1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide?
The InChIKey is HVYJFIGPYWUQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c31-26(29-22-12-5-2-6-13-22)17-27(32)30-28-18-24-23-14-8-7-11-21(23)15-16-25(24)33-19-20-9-3-1-4-10-20/h1-16,18H,17,19H2,(H,29,31)(H,30,32).
What are the key properties of N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide?
N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide has a molecular weight of 437.50 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide is sourced from PubChem (CID 3675600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).