N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide

C15H21N3O3 — CID 8988898

IUPACN-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H21N3O3/c1-4-9-21-13-7-5-12(6-8-13)10-16-18-15(20)14(19)17-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,17,19)(H,18,20)/b16-10-
InChIKeyWKPJQTLLHQIPBI-YBEGLDIGSA-N
MW291.35 g/mol
LogP1.45
Rot. Bonds6

About N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide

N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8988898) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
PubChem CID8988898
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H21N3O3/c1-4-9-21-13-7-5-12(6-8-13)10-16-18-15(20)14(19)17-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,17,19)(H,18,20)/b16-10-
InChIKeyWKPJQTLLHQIPBI-YBEGLDIGSA-N
XLogP1.45
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.45
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-propan-2-yl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989195
N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6896236
N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658895
N'-[(E)-(4-butoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 21212792
N'-[(Z)-(4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900317
N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8896208
N-cyclopropyl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988925
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide
CID 40538841
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
N-(4-fluorophenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988930
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide (CID 8988898) is N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccc(/C=N\NC(=O)C(=O)NC(C)C)cc1.
What is the InChIKey of N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is WKPJQTLLHQIPBI-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-9-21-13-7-5-12(6-8-13)10-16-18-15(20)14(19)17-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,17,19)(H,18,20)/b16-10-.
What are the key properties of N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 291.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8988898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).