N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide

C19H21N3O2 — CID 6256748

IUPACN-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N/N=C/CCc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14-8-6-9-15(2)17(14)21-18(23)19(24)22-20-13-7-12-16-10-4-3-5-11-16/h3-6,8-11,13H,7,12H2,1-2H3,(H,21,23)(H,22,24)/b20-13+
InChIKeyUSTSEWLOAPQDEE-DEDYPNTBSA-N
MW323.40 g/mol
LogP2.98
Rot. Bonds5

About N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide

N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide (PubChem CID 6256748) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide
PubChem CID6256748
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N/N=C/CCc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-14-8-6-9-15(2)17(14)21-18(23)19(24)22-20-13-7-12-16-10-4-3-5-11-16/h3-6,8-11,13H,7,12H2,1-2H3,(H,21,23)(H,22,24)/b20-13+
InChIKeyUSTSEWLOAPQDEE-DEDYPNTBSA-N
XLogP2.98
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.98
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'-(3-phenylpropylideneamino)oxamide
CID 4674915
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6176038
2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide
CID 7238939
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
2-cyano-N-(3-phenylpropylideneamino)acetamide
CID 5104820
2-naphthalen-1-yl-N-(3-phenylpropylideneamino)acetamide
CID 5127526
N'-[(Z)-[3-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126257327
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708
4-amino-N-[(Z)-3-phenylpropylideneamino]benzamide
CID 9070990
N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135606051
N-(4-chlorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108516687
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide (CID 6256748) is N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide is Cc1cccc(C)c1NC(=O)C(=O)N/N=C/CCc1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide?
The InChIKey is USTSEWLOAPQDEE-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-8-6-9-15(2)17(14)21-18(23)19(24)22-20-13-7-12-16-10-4-3-5-11-16/h3-6,8-11,13H,7,12H2,1-2H3,(H,21,23)(H,22,24)/b20-13+.
What are the key properties of N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide?
N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide has a molecular weight of 323.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide is sourced from PubChem (CID 6256748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).