N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide

C19H26N4O3 — CID 3489844

IUPACN'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide
SMILESCC(CC(=O)NC1CCCCC1)=NNC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H26N4O3/c1-13-8-10-16(11-9-13)21-18(25)19(26)23-22-14(2)12-17(24)20-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,20,24)(H,21,25)(H,23,26)
InChIKeyPUKRBCBFNXFKMY-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.26
Rot. Bonds5

About N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide

N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide (PubChem CID 3489844) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide
PubChem CID3489844
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide
SMILESCC(CC(=O)NC1CCCCC1)=NNC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H26N4O3/c1-13-8-10-16(11-9-13)21-18(25)19(26)23-22-14(2)12-17(24)20-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,20,24)(H,21,25)(H,23,26)
InChIKeyPUKRBCBFNXFKMY-UHFFFAOYSA-N
XLogP2.26
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
4-acetamido-N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]benzamide
CID 6088595
N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 6322510
N-(4-methylphenyl)-N'-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 46502643
N-[(E)-[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
CID 17369175
N-(4-methylphenyl)-N'-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 78460789
N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 171981064
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 4307620
N-cyclohexyl-N'-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]oxamide
CID 2862074
N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 3108542

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide (CID 3489844) is N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide is CC(CC(=O)NC1CCCCC1)=NNC(=O)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide?
The InChIKey is PUKRBCBFNXFKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-8-10-16(11-9-13)21-18(25)19(26)23-22-14(2)12-17(24)20-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,20,24)(H,21,25)(H,23,26).
What are the key properties of N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide?
N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide has a molecular weight of 358.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 3489844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).