N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide

C21H20N2O2 — CID 135588935

IUPACN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
SMILESCC/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C21H20N2O2/c1-2-20(16-10-12-18(24)13-11-16)22-23-21(25)14-17-8-5-7-15-6-3-4-9-19(15)17/h3-13,24H,2,14H2,1H3,(H,23,25)/b22-20+
InChIKeyYEPHOJSTCNREPC-LSDHQDQOSA-N
MW332.40 g/mol
LogP4.02
Rot. Bonds5

About N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 135588935) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID135588935
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
SMILESCC/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C21H20N2O2/c1-2-20(16-10-12-18(24)13-11-16)22-23-21(25)14-17-8-5-7-15-6-3-4-9-19(15)17/h3-13,24H,2,14H2,1H3,(H,23,25)/b22-20+
InChIKeyYEPHOJSTCNREPC-LSDHQDQOSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 4153333
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928
N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 5141586
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 4133962
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
CID 135603281
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 137166775
2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
CID 171145744
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2,2-diphenylacetamide
CID 136831660

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide (CID 135588935) is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide is CC/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is YEPHOJSTCNREPC-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-20(16-10-12-18(24)13-11-16)22-23-21(25)14-17-8-5-7-15-6-3-4-9-19(15)17/h3-13,24H,2,14H2,1H3,(H,23,25)/b22-20+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide?
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 332.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 135588935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).