N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide

C16H22N4O3 — CID 6160840

IUPACN'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide
SMILESCCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C16H22N4O3/c1-4-12-6-8-13(9-7-12)18-15(22)16(23)20-19-11(3)10-14(21)17-5-2/h6-9H,4-5,10H2,1-3H3,(H,17,21)(H,18,22)(H,20,23)/b19-11+
InChIKeyKATUVQAGJGACAU-YBFXNURJSA-N
MW318.38 g/mol
LogP1.21
Rot. Bonds6

About N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide

N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide (PubChem CID 6160840) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide
PubChem CID6160840
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide
SMILESCCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C16H22N4O3/c1-4-12-6-8-13(9-7-12)18-15(22)16(23)20-19-11(3)10-14(21)17-5-2/h6-9H,4-5,10H2,1-3H3,(H,17,21)(H,18,22)(H,20,23)/b19-11+
InChIKeyKATUVQAGJGACAU-YBFXNURJSA-N
XLogP1.21
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide?
The IUPAC name of N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide (CID 6160840) is N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide?
The canonical SMILES for N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide is CCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccc(CC)cc1.
What is the InChIKey of N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide?
The InChIKey is KATUVQAGJGACAU-YBFXNURJSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-12-6-8-13(9-7-12)18-15(22)16(23)20-19-11(3)10-14(21)17-5-2/h6-9H,4-5,10H2,1-3H3,(H,17,21)(H,18,22)(H,20,23)/b19-11+.
What are the key properties of N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide?
N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide has a molecular weight of 318.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[4-(ethylamino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide is sourced from PubChem (CID 6160840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).