N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide

C13H16N2O3 — CID 923591

IUPACN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide
SMILESCOc1cccc(C=NNC(=O)C2CCC2)c1O
InChIInChI=1S/C13H16N2O3/c1-18-11-7-3-6-10(12(11)16)8-14-15-13(17)9-4-2-5-9/h3,6-9,16H,2,4-5H2,1H3,(H,15,17)
InChIKeyZCXNOVLLJAGATH-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.65
Rot. Bonds4

About N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide (PubChem CID 923591) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide
PubChem CID923591
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide
SMILESCOc1cccc(C=NNC(=O)C2CCC2)c1O
InChIInChI=1S/C13H16N2O3/c1-18-11-7-3-6-10(12(11)16)8-14-15-13(17)9-4-2-5-9/h3,6-9,16H,2,4-5H2,1H3,(H,15,17)
InChIKeyZCXNOVLLJAGATH-UHFFFAOYSA-N
XLogP1.65
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 135532188
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907928
1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 137022805
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135676379
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
2-(azepan-1-yl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxoacetamide
CID 136764626
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 135603106
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
(4R)-1-[[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]carbamothioyl]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]azepane-4-carboxamide
CID 136728364
1-[(2-bicyclo[2.2.1]hept-5-enylamino)carbamothioyl]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]azepane-4-carboxamide
CID 135520610

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide?
The IUPAC name of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide (CID 923591) is N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide?
The canonical SMILES for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide is COc1cccc(C=NNC(=O)C2CCC2)c1O.
What is the InChIKey of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide?
The InChIKey is ZCXNOVLLJAGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-11-7-3-6-10(12(11)16)8-14-15-13(17)9-4-2-5-9/h3,6-9,16H,2,4-5H2,1H3,(H,15,17).
What are the key properties of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide?
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide is sourced from PubChem (CID 923591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).