N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide

C20H23N3O2 — CID 9179587

IUPACN-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C(/CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-14(2)13-18(16-7-5-4-6-8-16)22-23-20(25)19(24)21-17-11-9-15(3)10-12-17/h4-12,14H,13H2,1-3H3,(H,21,24)(H,23,25)/b22-18-
InChIKeyMKZLFEKPVOMCDM-PYCFMQQDSA-N
MW337.42 g/mol
LogP3.50
Rot. Bonds5

About N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide

N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide (PubChem CID 9179587) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
PubChem CID9179587
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C(/CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O2/c1-14(2)13-18(16-7-5-4-6-8-16)22-23-20(25)19(24)21-17-11-9-15(3)10-12-17/h4-12,14H,13H2,1-3H3,(H,21,24)(H,23,25)/b22-18-
InChIKeyMKZLFEKPVOMCDM-PYCFMQQDSA-N
XLogP3.50
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.50
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-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
CID 9180166
N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide
CID 9179762
3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide
CID 5191997
N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
CID 4581663
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509
3-chloro-4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]aniline
CID 7612604
4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide
CID 7929117
N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9155868
N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide
CID 9155525
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 135574728

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide?
The IUPAC name of N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide (CID 9179587) is N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide?
The canonical SMILES for N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide is Cc1ccc(NC(=O)C(=O)N/N=C(/CC(C)C)c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide?
The InChIKey is MKZLFEKPVOMCDM-PYCFMQQDSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)13-18(16-7-5-4-6-8-16)22-23-20(25)19(24)21-17-11-9-15(3)10-12-17/h4-12,14H,13H2,1-3H3,(H,21,24)(H,23,25)/b22-18-.
What are the key properties of N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide?
N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide has a molecular weight of 337.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide is sourced from PubChem (CID 9179587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).