N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide

C18H26N4O3 — CID 4529616

IUPACN'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide
SMILESCC(CC(=O)Nc1ccccc1C(C)C)=NNC(=O)C(=O)NC(C)C
InChIInChI=1S/C18H26N4O3/c1-11(2)14-8-6-7-9-15(14)20-16(23)10-13(5)21-22-18(25)17(24)19-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,19,24)(H,20,23)(H,22,25)
InChIKeyKUQNTDIBGADLHG-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.16
Rot. Bonds6

About N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide

N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide (PubChem CID 4529616) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide
PubChem CID4529616
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide
SMILESCC(CC(=O)Nc1ccccc1C(C)C)=NNC(=O)C(=O)NC(C)C
InChIInChI=1S/C18H26N4O3/c1-11(2)14-8-6-7-9-15(14)20-16(23)10-13(5)21-22-18(25)17(24)19-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,19,24)(H,20,23)(H,22,25)
InChIKeyKUQNTDIBGADLHG-UHFFFAOYSA-N
XLogP2.16
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.16
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-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide
CID 17385859
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
CID 6259574
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954290
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167

Frequently Asked Questions

What is the IUPAC name of N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide?
The IUPAC name of N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide (CID 4529616) is N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide is CC(CC(=O)Nc1ccccc1C(C)C)=NNC(=O)C(=O)NC(C)C.
What is the InChIKey of N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide?
The InChIKey is KUQNTDIBGADLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-11(2)14-8-6-7-9-15(14)20-16(23)10-13(5)21-22-18(25)17(24)19-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,19,24)(H,20,23)(H,22,25).
What are the key properties of N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide?
N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide has a molecular weight of 346.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide is sourced from PubChem (CID 4529616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).