N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide

C23H26N4O5 — CID 3520611

IUPACN-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(O)c(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H26N4O5/c1-32-17-11-12-20(28)15(13-17)14-24-27-23(31)22(30)26-19-10-6-5-9-18(19)21(29)25-16-7-3-2-4-8-16/h5-6,9-14,16,28H,2-4,7-8H2,1H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyNQJVTHPJIKLTOK-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide

N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide (PubChem CID 3520611) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
PubChem CID3520611
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(O)c(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H26N4O5/c1-32-17-11-12-20(28)15(13-17)14-24-27-23(31)22(30)26-19-10-6-5-9-18(19)21(29)25-16-7-3-2-4-8-16/h5-6,9-14,16,28H,2-4,7-8H2,1H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyNQJVTHPJIKLTOK-UHFFFAOYSA-N
XLogP2.55
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'-[(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 4207988
N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 6009307
N'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 3571504
[4-[[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 5211946
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(methanesulfonamido)benzamide
CID 135960004
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 5076013
[1-[(E)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 45054830
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
CID 5052859
N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 4248210
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
CID 136611999
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136808223
[3-[[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4057030

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide (CID 3520611) is N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide is COc1ccc(O)c(C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is NQJVTHPJIKLTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-32-17-11-12-20(28)15(13-17)14-24-27-23(31)22(30)26-19-10-6-5-9-18(19)21(29)25-16-7-3-2-4-8-16/h5-6,9-14,16,28H,2-4,7-8H2,1H3,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide?
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 438.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 3520611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).