N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide

C21H21N3O3 — CID 135411357

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
SMILESCOc1cccc(/C=N/NC(=O)C(C)Nc2cccc3ccccc23)c1O
InChIInChI=1S/C21H21N3O3/c1-14(23-18-11-5-8-15-7-3-4-10-17(15)18)21(26)24-22-13-16-9-6-12-19(27-2)20(16)25/h3-14,23,25H,1-2H3,(H,24,26)/b22-13+
InChIKeyLTXIQEIVFOBIDV-LPYMAVHISA-N
MW363.42 g/mol
LogP3.50
Rot. Bonds6

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide (PubChem CID 135411357) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
PubChem CID135411357
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide
SMILESCOc1cccc(/C=N/NC(=O)C(C)Nc2cccc3ccccc23)c1O
InChIInChI=1S/C21H21N3O3/c1-14(23-18-11-5-8-15-7-3-4-10-17(15)18)21(26)24-22-13-16-9-6-12-19(27-2)20(16)25/h3-14,23,25H,1-2H3,(H,24,26)/b22-13+
InChIKeyLTXIQEIVFOBIDV-LPYMAVHISA-N
XLogP3.50
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide (CID 135411357) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide is COc1cccc(/C=N/NC(=O)C(C)Nc2cccc3ccccc23)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
The InChIKey is LTXIQEIVFOBIDV-LPYMAVHISA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14(23-18-11-5-8-15-7-3-4-10-17(15)18)21(26)24-22-13-16-9-6-12-19(27-2)20(16)25/h3-14,23,25H,1-2H3,(H,24,26)/b22-13+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide has a molecular weight of 363.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)propanamide is sourced from PubChem (CID 135411357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).