N'-(3-phenylpropylideneamino)oxamide

C11H13N3O2 — CID 4674915

IUPACN'-(3-phenylpropylideneamino)oxamide
SMILESNC(=O)C(=O)NN=CCCc1ccccc1
InChIInChI=1S/C11H13N3O2/c12-10(15)11(16)14-13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H2,12,15)(H,14,16)
InChIKeyVEEJQPHAOZNMTL-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.21
Rot. Bonds4

About N'-(3-phenylpropylideneamino)oxamide

N'-(3-phenylpropylideneamino)oxamide (PubChem CID 4674915) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N'-(3-phenylpropylideneamino)oxamide.

Molecular Properties

Compound NameN'-(3-phenylpropylideneamino)oxamide
PubChem CID4674915
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN'-(3-phenylpropylideneamino)oxamide
SMILESNC(=O)C(=O)NN=CCCc1ccccc1
InChIInChI=1S/C11H13N3O2/c12-10(15)11(16)14-13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H2,12,15)(H,14,16)
InChIKeyVEEJQPHAOZNMTL-UHFFFAOYSA-N
XLogP0.21
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.21
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

4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 9070990
N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide
CID 6256748
2-cyano-N-(3-phenylpropylideneamino)acetamide
CID 5104820
2-fluoro-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 6167481
N-(3-phenylpropylideneamino)dodecanamide
CID 3728089
1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea
CID 6231259
2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide
CID 5127526
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
3-hydroxy-N-[(Z)-3-phenylpropylideneamino]naphthalene-2-carboxamide
CID 6263341
4-amino-3,5,6-trichloro-N-[(Z)-3-phenylpropylideneamino]pyridin-1-ium-2-carboxamide
CID 135938159
2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide
CID 4922169
2-(3-phenylpropylideneamino)guanidine
CID 5053229

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenylpropylideneamino)oxamide?
The IUPAC name of N'-(3-phenylpropylideneamino)oxamide (CID 4674915) is N'-(3-phenylpropylideneamino)oxamide.
What is the SMILES notation for N'-(3-phenylpropylideneamino)oxamide?
The canonical SMILES for N'-(3-phenylpropylideneamino)oxamide is NC(=O)C(=O)NN=CCCc1ccccc1.
What is the InChIKey of N'-(3-phenylpropylideneamino)oxamide?
The InChIKey is VEEJQPHAOZNMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-10(15)11(16)14-13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2,(H2,12,15)(H,14,16).
What are the key properties of N'-(3-phenylpropylideneamino)oxamide?
N'-(3-phenylpropylideneamino)oxamide has a molecular weight of 219.24 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenylpropylideneamino)oxamide is sourced from PubChem (CID 4674915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).