N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide

C17H26N2O3 — CID 136717836

IUPACN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C(/C)c1ccc(O)cc1O
InChIInChI=1S/C17H26N2O3/c1-3-4-5-6-7-8-9-17(22)19-18-13(2)15-11-10-14(20)12-16(15)21/h10-12,20-21H,3-9H2,1-2H3,(H,19,22)/b18-13-
InChIKeyCEMBSTLLGHLHQG-AQTBWJFISA-N
MW306.41 g/mol
LogP3.69
Rot. Bonds9

About N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide

N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide (PubChem CID 136717836) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide
PubChem CID136717836
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide
SMILESCCCCCCCCC(=O)N/N=C(/C)c1ccc(O)cc1O
InChIInChI=1S/C17H26N2O3/c1-3-4-5-6-7-8-9-17(22)19-18-13(2)15-11-10-14(20)12-16(15)21/h10-12,20-21H,3-9H2,1-2H3,(H,19,22)/b18-13-
InChIKeyCEMBSTLLGHLHQG-AQTBWJFISA-N
XLogP3.69
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-(2,4-dihydroxyphenyl)ethylideneamino]decanamide
CID 4124156
N-[1-(2-hydroxyphenyl)ethylideneamino]decanamide
CID 3656120
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893
N-[1-(2,4-dimethylphenyl)ethylideneamino]decanamide
CID 3291865
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
N'-dodecanoyl-2,4-dihydroxybenzohydrazide
CID 18983784
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033643
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]pentanamide
CID 135799262
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]hexanamide
CID 135601125
N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3677655
N,N'-bis[(Z)-1-(4-hydroxyphenyl)ethylideneamino]nonanediamide
CID 136878224
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide?
The IUPAC name of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide (CID 136717836) is N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide?
The canonical SMILES for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide is CCCCCCCCC(=O)N/N=C(/C)c1ccc(O)cc1O.
What is the InChIKey of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide?
The InChIKey is CEMBSTLLGHLHQG-AQTBWJFISA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-4-5-6-7-8-9-17(22)19-18-13(2)15-11-10-14(20)12-16(15)21/h10-12,20-21H,3-9H2,1-2H3,(H,19,22)/b18-13-.
What are the key properties of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide?
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide has a molecular weight of 306.41 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]nonanamide is sourced from PubChem (CID 136717836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).