N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide

C20H28N4O4 — CID 94863500

IUPACN'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H28N4O4/c1-14(2)22-19(26)20(27)24-21-12-15-8-10-17(11-9-15)28-13-18(25)23-16-6-4-3-5-7-16/h8-12,14,16H,3-7,13H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/b21-12-
InChIKeyQBJLAGOQLSEBTR-MTJSOVHGSA-N
MW388.47 g/mol
LogP1.49
Rot. Bonds7

About N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide (PubChem CID 94863500) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
PubChem CID94863500
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H28N4O4/c1-14(2)22-19(26)20(27)24-21-12-15-8-10-17(11-9-15)28-13-18(25)23-16-6-4-3-5-7-16/h8-12,14,16H,3-7,13H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/b21-12-
InChIKeyQBJLAGOQLSEBTR-MTJSOVHGSA-N
XLogP1.49
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 94833194
N-cyclohexyl-N'-[[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 3829252
N'-[(E)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)propanediamide
CID 94863688
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 94863537
N-(2-chlorophenyl)-N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94863613
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-cyclohexyloxamide
CID 94863520
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94832956
N-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 6035728
N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6896236
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94832391
N'-[(Z)-[4-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide
CID 126165162

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide (CID 94863500) is N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide?
The InChIKey is QBJLAGOQLSEBTR-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-14(2)22-19(26)20(27)24-21-12-15-8-10-17(11-9-15)28-13-18(25)23-16-6-4-3-5-7-16/h8-12,14,16H,3-7,13H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/b21-12-.
What are the key properties of N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide has a molecular weight of 388.47 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 94863500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).