N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide

C22H24N4O5 — CID 4207988

IUPACN-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc(O)cc1O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H24N4O5/c27-16-11-10-14(19(28)12-16)13-23-26-22(31)21(30)25-18-9-5-4-8-17(18)20(29)24-15-6-2-1-3-7-15/h4-5,8-13,15,27-28H,1-3,6-7H2,(H,24,29)(H,25,30)(H,26,31)
InChIKeyZSZMDMXVOJUZBT-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide

N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide (PubChem CID 4207988) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide
PubChem CID4207988
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC NameN-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc(O)cc1O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H24N4O5/c27-16-11-10-14(19(28)12-16)13-23-26-22(31)21(30)25-18-9-5-4-8-17(18)20(29)24-15-6-2-1-3-7-15/h4-5,8-13,15,27-28H,1-3,6-7H2,(H,24,29)(H,25,30)(H,26,31)
InChIKeyZSZMDMXVOJUZBT-UHFFFAOYSA-N
XLogP2.25
TPSA140.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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': 'diketo_group', '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-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
CID 3520611
N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 3571504
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 5076013
N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 4248210
N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 6009307
[4-[[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 5211946
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
[3-[[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4057030
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 136891004
2-[[[2-(cycloheptylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3722549
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 135684849
[1-[(E)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 45054830

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide (CID 4207988) is N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide is O=C(NN=Cc1ccc(O)cc1O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The InChIKey is ZSZMDMXVOJUZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c27-16-11-10-14(19(28)12-16)13-23-26-22(31)21(30)25-18-9-5-4-8-17(18)20(29)24-15-6-2-1-3-7-15/h4-5,8-13,15,27-28H,1-3,6-7H2,(H,24,29)(H,25,30)(H,26,31).
What are the key properties of N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide?
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide has a molecular weight of 424.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 4207988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).