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

C19H19N3O2 — CID 99907772

IUPACN-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
SMILESCC(/C=N/NC(=O)C(=O)Nc1cccc(C)c1)=C\c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14-7-6-10-17(12-14)21-18(23)19(24)22-20-13-15(2)11-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,21,23)(H,22,24)/b15-11+,20-13+
InChIKeyLABSNYRNCIPUOR-JPGHCFAASA-N
MW321.38 g/mol
LogP3.14
Rot. Bonds4

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

N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide (PubChem CID 99907772) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
PubChem CID99907772
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
SMILESCC(/C=N/NC(=O)C(=O)Nc1cccc(C)c1)=C\c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14-7-6-10-17(12-14)21-18(23)19(24)22-20-13-15(2)11-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,21,23)(H,22,24)/b15-11+,20-13+
InChIKeyLABSNYRNCIPUOR-JPGHCFAASA-N
XLogP3.14
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.14
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'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 45054187
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
2-benzylidene-N-(3-methylphenyl)-3-oxobutanamide
CID 78119677
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'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 4123123
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
1-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-phenylthiourea
CID 3461984
N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 5060623
N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 9352240
N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45055326

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
The IUPAC name of N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide (CID 99907772) is N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide.
What is the SMILES notation for N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
The canonical SMILES for N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide is CC(/C=N/NC(=O)C(=O)Nc1cccc(C)c1)=C\c1ccccc1.
What is the InChIKey of N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
The InChIKey is LABSNYRNCIPUOR-JPGHCFAASA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-7-6-10-17(12-14)21-18(23)19(24)22-20-13-15(2)11-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,21,23)(H,22,24)/b15-11+,20-13+.
What are the key properties of N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide?
N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide has a molecular weight of 321.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide is sourced from PubChem (CID 99907772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).