(Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide

C15H19NO4 — CID 5417578

IUPAC(Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide
SMILESCOc1ccc(NC(=O)/C(O)=C/C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H19NO4/c1-15(2,3)13(18)9-12(17)14(19)16-10-5-7-11(20-4)8-6-10/h5-9,17H,1-4H3,(H,16,19)/b12-9-
InChIKeyXFNSJEIYDZJKGI-XFXZXTDPSA-N
MW277.32 g/mol
LogP2.69
Rot. Bonds4

About (Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide

(Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide (PubChem CID 5417578) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide.

Molecular Properties

Compound Name(Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide
PubChem CID5417578
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide
SMILESCOc1ccc(NC(=O)/C(O)=C/C(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H19NO4/c1-15(2,3)13(18)9-12(17)14(19)16-10-5-7-11(20-4)8-6-10/h5-9,17H,1-4H3,(H,16,19)/b12-9-
InChIKeyXFNSJEIYDZJKGI-XFXZXTDPSA-N
XLogP2.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680
4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6896328
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
2-chloro-N-(4-methoxyphenyl)prop-2-enamide
CID 29979
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
(Z)-2-cyano-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methoxyphenyl)prop-2-enamide
CID 108828662

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide?
The IUPAC name of (Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide (CID 5417578) is (Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide.
What is the SMILES notation for (Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide?
The canonical SMILES for (Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide is COc1ccc(NC(=O)/C(O)=C/C(=O)C(C)(C)C)cc1.
What is the InChIKey of (Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide?
The InChIKey is XFNSJEIYDZJKGI-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,3)13(18)9-12(17)14(19)16-10-5-7-11(20-4)8-6-10/h5-9,17H,1-4H3,(H,16,19)/b12-9-.
What are the key properties of (Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide?
(Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide has a molecular weight of 277.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-N-(4-methoxyphenyl)-5,5-dimethyl-4-oxohex-2-enamide is sourced from PubChem (CID 5417578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).