N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide

C16H23N3O3 — CID 8988811

IUPACN-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)C(=O)N[C@H](C)CC
InChIInChI=1S/C16H23N3O3/c1-4-10-22-14-9-7-6-8-13(14)11-17-19-16(21)15(20)18-12(3)5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,20)(H,19,21)/b17-11-/t12-/m1/s1
InChIKeyJMDJRWLUKSZMET-ZSAINHDTSA-N
MW305.38 g/mol
LogP1.84
Rot. Bonds7

About N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide

N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8988811) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
PubChem CID8988811
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccccc1/C=N\NC(=O)C(=O)N[C@H](C)CC
InChIInChI=1S/C16H23N3O3/c1-4-10-22-14-9-7-6-8-13(14)11-17-19-16(21)15(20)18-12(3)5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,20)(H,19,21)/b17-11-/t12-/m1/s1
InChIKeyJMDJRWLUKSZMET-ZSAINHDTSA-N
XLogP1.84
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.84
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

1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(2R)-butan-2-yl]-N'-[(Z)-[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126257777
N-(2,6-diethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988802
N-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821
N-(4-ethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988796
N-(2-fluorophenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988803
(E)-N-butan-2-yl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
CID 19206765
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide
CID 3406377
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 24819076
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide (CID 8988811) is N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccccc1/C=N\NC(=O)C(=O)N[C@H](C)CC.
What is the InChIKey of N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is JMDJRWLUKSZMET-ZSAINHDTSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-10-22-14-9-7-6-8-13(14)11-17-19-16(21)15(20)18-12(3)5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,20)(H,19,21)/b17-11-/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide?
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 305.38 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8988811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).