N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide

C18H22N2O2 — CID 135601125

IUPACN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C(\C)c1ccc2ccccc2c1O
InChIInChI=1S/C18H22N2O2/c1-3-4-5-10-17(21)20-19-13(2)15-12-11-14-8-6-7-9-16(14)18(15)22/h6-9,11-12,22H,3-5,10H2,1-2H3,(H,20,21)/b19-13+
InChIKeySNVIRORNUMHKKC-CPNJWEJPSA-N
MW298.39 g/mol
LogP3.97
Rot. Bonds6

About N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide

N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide (PubChem CID 135601125) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide.

Molecular Properties

Compound NameN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide
PubChem CID135601125
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C(\C)c1ccc2ccccc2c1O
InChIInChI=1S/C18H22N2O2/c1-3-4-5-10-17(21)20-19-13(2)15-12-11-14-8-6-7-9-16(14)18(15)22/h6-9,11-12,22H,3-5,10H2,1-2H3,(H,20,21)/b19-13+
InChIKeySNVIRORNUMHKKC-CPNJWEJPSA-N
XLogP3.97
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2-hydroxyphenyl)ethylideneamino]decanamide
CID 3656120
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]decanamide
CID 4124156
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide
CID 136717836
N-[1-(2,4-dimethylphenyl)ethylideneamino]decanamide
CID 3291865
3-hydroxy-N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135673825
N-[1-(4-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
CID 5068789
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
CID 135738478

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide?
The IUPAC name of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide (CID 135601125) is N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide.
What is the SMILES notation for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide?
The canonical SMILES for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide is CCCCCC(=O)N/N=C(\C)c1ccc2ccccc2c1O.
What is the InChIKey of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide?
The InChIKey is SNVIRORNUMHKKC-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-4-5-10-17(21)20-19-13(2)15-12-11-14-8-6-7-9-16(14)18(15)22/h6-9,11-12,22H,3-5,10H2,1-2H3,(H,20,21)/b19-13+.
What are the key properties of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide?
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide has a molecular weight of 298.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide is sourced from PubChem (CID 135601125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).