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

C15H20N2O3 — CID 5161964

IUPACN-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
SMILESCC(=NNC(=O)C1CCCCC1)c1ccc(O)cc1O
InChIInChI=1S/C15H20N2O3/c1-10(13-8-7-12(18)9-14(13)19)16-17-15(20)11-5-3-2-4-6-11/h7-9,11,18-19H,2-6H2,1H3,(H,17,20)
InChIKeyGCWHULUGLKRVNZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds3

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

N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide (PubChem CID 5161964) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
PubChem CID5161964
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
SMILESCC(=NNC(=O)C1CCCCC1)c1ccc(O)cc1O
InChIInChI=1S/C15H20N2O3/c1-10(13-8-7-12(18)9-14(13)19)16-17-15(20)11-5-3-2-4-6-11/h7-9,11,18-19H,2-6H2,1H3,(H,17,20)
InChIKeyGCWHULUGLKRVNZ-UHFFFAOYSA-N
XLogP2.52
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.52
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 19685369
(1S,6R,7R)-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 136829066
N-[1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 3541547
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237610
N-[2-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925196
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide
CID 137034851
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-methylthiourea
CID 135676243
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
N-[bis(2-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 139929862
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide (CID 5161964) is N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide is CC(=NNC(=O)C1CCCCC1)c1ccc(O)cc1O.
What is the InChIKey of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
The InChIKey is GCWHULUGLKRVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(13-8-7-12(18)9-14(13)19)16-17-15(20)11-5-3-2-4-6-11/h7-9,11,18-19H,2-6H2,1H3,(H,17,20).
What are the key properties of N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 5161964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).