N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide

C21H19N3O3 — CID 5227321

IUPACN-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)NN=Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H19N3O3/c1-27-18-10-5-9-17(12-18)23-20(25)13-21(26)24-22-14-16-8-4-7-15-6-2-3-11-19(15)16/h2-12,14H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyZBDZBFXYFKCEHZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.33
Rot. Bonds6

About N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide

N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide (PubChem CID 5227321) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide
PubChem CID5227321
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)NN=Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H19N3O3/c1-27-18-10-5-9-17(12-18)23-20(25)13-21(26)24-22-14-16-8-4-7-15-6-2-3-11-19(15)16/h2-12,14H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyZBDZBFXYFKCEHZ-UHFFFAOYSA-N
XLogP3.33
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.33
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'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3295281
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 135684236
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3968962
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3455100
N'-[(2-chlorophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3928053
N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4317093
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3495029
N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126277741
N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5244598

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide?
The IUPAC name of N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide (CID 5227321) is N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide?
The canonical SMILES for N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide is COc1cccc(NC(=O)CC(=O)NN=Cc2cccc3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide?
The InChIKey is ZBDZBFXYFKCEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-18-10-5-9-17(12-18)23-20(25)13-21(26)24-22-14-16-8-4-7-15-6-2-3-11-19(15)16/h2-12,14H,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide?
N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide has a molecular weight of 361.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N'-(naphthalen-1-ylmethylideneamino)propanediamide is sourced from PubChem (CID 5227321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).