N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide

C16H21N3O3 — CID 94846855

IUPACN-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
SMILESCCOc1ccccc1/C=N\NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C16H21N3O3/c1-2-22-14-10-6-3-7-12(14)11-17-19-16(21)15(20)18-13-8-4-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3,(H,18,20)(H,19,21)/b17-11-
InChIKeyJEHNTCALKAMUSG-BOPFTXTBSA-N
MW303.36 g/mol
LogP1.59
Rot. Bonds5

About N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide

N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide (PubChem CID 94846855) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
PubChem CID94846855
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
SMILESCCOc1ccccc1/C=N\NC(=O)C(=O)NC1CCCC1
InChIInChI=1S/C16H21N3O3/c1-2-22-14-10-6-3-7-12(14)11-17-19-16(21)15(20)18-13-8-4-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3,(H,18,20)(H,19,21)/b17-11-
InChIKeyJEHNTCALKAMUSG-BOPFTXTBSA-N
XLogP1.59
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopropyl-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262178
N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 21211563
N-cycloheptyl-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4678168
N-cycloheptyl-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135607606
N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931109
N-cyclopropyl-N'-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxamide
CID 9352177
N-cyclopropyl-N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126264726
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
2-[[[2-(cycloheptylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3722549
N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
CID 4663699
N-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821
1-cyclohexyl-3-[(Z)-(2-propoxyphenyl)methylideneamino]thiourea
CID 112538714

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide (CID 94846855) is N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide is CCOc1ccccc1/C=N\NC(=O)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide?
The InChIKey is JEHNTCALKAMUSG-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-22-14-10-6-3-7-12(14)11-17-19-16(21)15(20)18-13-8-4-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3,(H,18,20)(H,19,21)/b17-11-.
What are the key properties of N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide?
N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide has a molecular weight of 303.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 94846855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).