N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide

C18H17N3O3 — CID 9352215

IUPACN-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1cccc(Oc2ccccc2)c1)C(=O)NC1CC1
InChIInChI=1S/C18H17N3O3/c22-17(20-14-9-10-14)18(23)21-19-12-13-5-4-8-16(11-13)24-15-6-2-1-3-7-15/h1-8,11-12,14H,9-10H2,(H,20,22)(H,21,23)/b19-12-
InChIKeyWIVAYWIBLPQDCU-UNOMPAQXSA-N
MW323.35 g/mol
LogP2.21
Rot. Bonds5

About N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide (PubChem CID 9352215) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide
PubChem CID9352215
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1cccc(Oc2ccccc2)c1)C(=O)NC1CC1
InChIInChI=1S/C18H17N3O3/c22-17(20-14-9-10-14)18(23)21-19-12-13-5-4-8-16(11-13)24-15-6-2-1-3-7-15/h1-8,11-12,14H,9-10H2,(H,20,22)(H,21,23)/b19-12-
InChIKeyWIVAYWIBLPQDCU-UNOMPAQXSA-N
XLogP2.21
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.21
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'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide
CID 9352220
N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 8930334
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844326
N-cyclopropyl-2-[[5-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7947084
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 110337163
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
N-[(E)-(3-phenoxyphenyl)methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide
CID 17048539
methyl 4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8899268
N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 9352240
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide
CID 5375697

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide (CID 9352215) is N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide is O=C(N/N=C\c1cccc(Oc2ccccc2)c1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide?
The InChIKey is WIVAYWIBLPQDCU-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-17(20-14-9-10-14)18(23)21-19-12-13-5-4-8-16(11-13)24-15-6-2-1-3-7-15/h1-8,11-12,14H,9-10H2,(H,20,22)(H,21,23)/b19-12-.
What are the key properties of N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide has a molecular weight of 323.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 9352215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).