N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide

C26H32N4O4 — CID 6009307

IUPACN'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
SMILESCCCCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H32N4O4/c1-2-3-17-34-21-15-13-19(14-16-21)18-27-30-26(33)25(32)29-23-12-8-7-11-22(23)24(31)28-20-9-5-4-6-10-20/h7-8,11-16,18,20H,2-6,9-10,17H2,1H3,(H,28,31)(H,29,32)(H,30,33)/b27-18-
InChIKeyVBCPOTCWKOZOLB-IMRQLAEWSA-N
MW464.57 g/mol
LogP4.02
Rot. Bonds9

About N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide

N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide (PubChem CID 6009307) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
PubChem CID6009307
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
SMILESCCCCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H32N4O4/c1-2-3-17-34-21-15-13-19(14-16-21)18-27-30-26(33)25(32)29-23-12-8-7-11-22(23)24(31)28-20-9-5-4-6-10-20/h7-8,11-16,18,20H,2-6,9-10,17H2,1H3,(H,28,31)(H,29,32)(H,30,33)/b27-18-
InChIKeyVBCPOTCWKOZOLB-IMRQLAEWSA-N
XLogP4.02
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'-[(4-chlorophenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 3571504
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 3631981
[4-[[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 5211946
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]oxamide
CID 5052859
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
N-(2-chlorophenyl)-N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94863613
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 3418845
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94832956
N-[2-(cyclohexylcarbamoyl)phenyl]-N'-[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
CID 3520611
N'-(1,3-benzodioxol-5-ylmethylideneamino)-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide
CID 5076013
N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988925
N-(2-ethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988931

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
The IUPAC name of N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide (CID 6009307) is N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide is CCCCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
The InChIKey is VBCPOTCWKOZOLB-IMRQLAEWSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-2-3-17-34-21-15-13-19(14-16-21)18-27-30-26(33)25(32)29-23-12-8-7-11-22(23)24(31)28-20-9-5-4-6-10-20/h7-8,11-16,18,20H,2-6,9-10,17H2,1H3,(H,28,31)(H,29,32)(H,30,33)/b27-18-.
What are the key properties of N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide?
N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide has a molecular weight of 464.57 g/mol, XLogP of 4.02, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-butoxyphenyl)methylideneamino]-N-[2-(cyclohexylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 6009307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).