N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide

C21H20N2O2 — CID 137031824

IUPACN-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide
SMILESCc1ccc(/C=N\NC(=O)CCc2ccc3ccccc3c2)c(O)c1
InChIInChI=1S/C21H20N2O2/c1-15-6-9-19(20(24)12-15)14-22-23-21(25)11-8-16-7-10-17-4-2-3-5-18(17)13-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,23,25)/b22-14-
InChIKeyGTWBFTVJPIQDHB-HMAPJEAMSA-N
MW332.40 g/mol
LogP3.94
Rot. Bonds5

About N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide

N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide (PubChem CID 137031824) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide
PubChem CID137031824
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide
SMILESCc1ccc(/C=N\NC(=O)CCc2ccc3ccccc3c2)c(O)c1
InChIInChI=1S/C21H20N2O2/c1-15-6-9-19(20(24)12-15)14-22-23-21(25)11-8-16-7-10-17-4-2-3-5-18(17)13-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,23,25)/b22-14-
InChIKeyGTWBFTVJPIQDHB-HMAPJEAMSA-N
XLogP3.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide
CID 135605985
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 135627903
N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 917804
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 135560200
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]-3-naphthalen-1-ylpropanamide;3-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]propanamide;3-(4-chlorophenyl)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]propanamide;N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]-3-(2-methylphenyl)propanamide;N-[(E)-(3,5-dibromo-2-hydroxy-4-methylphenyl)methylideneamino]-3-(4-methylphenyl)propanamide;N-[(E)-1-(3,5-dibromo-4-methylphenyl)ethylideneamino]-3-naphthalen-2-ylpropanamide;N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide;N-[(E)-(4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide
CID 172988507
N-(2,5-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 3297103
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide
CID 135420204
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 136713953
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide?
The IUPAC name of N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide (CID 137031824) is N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide is Cc1ccc(/C=N\NC(=O)CCc2ccc3ccccc3c2)c(O)c1.
What is the InChIKey of N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide?
The InChIKey is GTWBFTVJPIQDHB-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-6-9-19(20(24)12-15)14-22-23-21(25)11-8-16-7-10-17-4-2-3-5-18(17)13-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,23,25)/b22-14-.
What are the key properties of N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide?
N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide has a molecular weight of 332.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 137031824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).