N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide

C15H17N3O2 — CID 9352240

IUPACN-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
SMILESCC(/C=N\NC(=O)C(=O)NC1CC1)=C\c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-11(9-12-5-3-2-4-6-12)10-16-18-15(20)14(19)17-13-7-8-13/h2-6,9-10,13H,7-8H2,1H3,(H,17,19)(H,18,20)/b11-9+,16-10-
InChIKeyWWKJHGPEVFXXSJ-JXBVNYRQSA-N
MW271.32 g/mol
LogP1.47
Rot. Bonds4

About N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide

N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide (PubChem CID 9352240) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
PubChem CID9352240
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
SMILESCC(/C=N\NC(=O)C(=O)NC1CC1)=C\c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-11(9-12-5-3-2-4-6-12)10-16-18-15(20)14(19)17-13-7-8-13/h2-6,9-10,13H,7-8H2,1H3,(H,17,19)(H,18,20)/b11-9+,16-10-
InChIKeyWWKJHGPEVFXXSJ-JXBVNYRQSA-N
XLogP1.47
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 4123123
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 99907772
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]-N-naphthalen-1-yloxamide
CID 3350985
N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide
CID 45054176
N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 45054187
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
2-hydroxy-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2,2-diphenylacetamide
CID 4156814
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 8866343

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide (CID 9352240) is N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide is CC(/C=N\NC(=O)C(=O)NC1CC1)=C\c1ccccc1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
The InChIKey is WWKJHGPEVFXXSJ-JXBVNYRQSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(9-12-5-3-2-4-6-12)10-16-18-15(20)14(19)17-13-7-8-13/h2-6,9-10,13H,7-8H2,1H3,(H,17,19)(H,18,20)/b11-9+,16-10-.
What are the key properties of N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide has a molecular weight of 271.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide is sourced from PubChem (CID 9352240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).