methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate

C19H22N2O5 — CID 135449734

IUPACmethyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=Cc2ccc(OCC(=O)NC(C)C)cc2)N=C1C
InChIInChI=1S/C19H22N2O5/c1-11(2)20-16(22)10-26-14-7-5-13(6-8-14)9-15-18(23)17(12(3)21-15)19(24)25-4/h5-9,11,23H,10H2,1-4H3,(H,20,22)
InChIKeyPTHULCYICIWZKM-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.39
Rot. Bonds6

About methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate

methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate (PubChem CID 135449734) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate
PubChem CID135449734
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=Cc2ccc(OCC(=O)NC(C)C)cc2)N=C1C
InChIInChI=1S/C19H22N2O5/c1-11(2)20-16(22)10-26-14-7-5-13(6-8-14)9-15-18(23)17(12(3)21-15)19(24)25-4/h5-9,11,23H,10H2,1-4H3,(H,20,22)
InChIKeyPTHULCYICIWZKM-UHFFFAOYSA-N
XLogP2.39
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl (5E)-4-hydroxy-5-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-2-methylpyrrole-3-carboxylate
CID 135432692
methyl 4-hydroxy-2-methyl-5-[(4-methylsulfanylphenyl)methylidene]pyrrole-3-carboxylate
CID 135522568
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
ethyl 4-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]benzoate
CID 94832120
ethyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-hydroxy-2-methylpyrrole-3-carboxylate
CID 135545596
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849
methyl 4-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate
CID 4260619
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
methyl (4Z)-2-methyl-5-oxo-4-[[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]phenyl]methylidene]-1-(4-propan-2-ylphenyl)pyrrole-3-carboxylate
CID 126006019
methyl (5Z)-1-(4-bromophenyl)-2-methyl-4-oxo-5-[[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]phenyl]methylidene]pyrrole-3-carboxylate
CID 126008673
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate (CID 135449734) is methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate is COC(=O)C1=C(O)C(=Cc2ccc(OCC(=O)NC(C)C)cc2)N=C1C.
What is the InChIKey of methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate?
The InChIKey is PTHULCYICIWZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11(2)20-16(22)10-26-14-7-5-13(6-8-14)9-15-18(23)17(12(3)21-15)19(24)25-4/h5-9,11,23H,10H2,1-4H3,(H,20,22).
What are the key properties of methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate?
methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-methyl-5-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylidene]pyrrole-3-carboxylate is sourced from PubChem (CID 135449734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).