4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide

C19H18N2O4 — CID 90330599

IUPAC4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(Oc3ccccc3)cc2)=C(O)C1=O
InChIInChI=1S/C19H18N2O4/c1-21-12-16(17(22)19(21)24)18(23)20-11-13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10,22H,11-12H2,1H3,(H,20,23)
InChIKeyDBXYQWIXESNRGK-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.38
Rot. Bonds5

About 4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide

4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide (PubChem CID 90330599) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide
PubChem CID90330599
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCc2ccc(Oc3ccccc3)cc2)=C(O)C1=O
InChIInChI=1S/C19H18N2O4/c1-21-12-16(17(22)19(21)24)18(23)20-11-13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10,22H,11-12H2,1H3,(H,20,23)
InChIKeyDBXYQWIXESNRGK-UHFFFAOYSA-N
XLogP2.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxybenzyl)-2-(4-methoxyphenoxy)acetamide
CID 748751
2-[[1-[[4-(2-Fluorophenoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73053164
2-[[4-Hydroxy-1-[[4-(3-methoxyphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73053305
2-(4-fluorophenoxy)-N-(4-methoxybenzyl)acetamide
CID 887507
N-[3-(dimethylamino)propyl]-4-phenoxybenzamide;hydrochloride
CID 16195951
N-[5-(dimethylamino)pentyl]-4-phenoxybenzamide;hydrochloride
CID 16737351
2-[[4-Hydroxy-1-[[4-(4-methylphenoxy)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73052704
N-benzyl-3-(4-propoxyphenyl)acrylamide
CID 1568637
(E)-3-[4-(3-fluoropropoxy)phenyl]-N-(4-methoxybenzyl)-2-propenamide
CID 6270538
2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-[(4-methoxyphenyl)methyl]carbamate
CID 9547747
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 54733176
ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate
CID 54737688

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide (CID 90330599) is 4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCc2ccc(Oc3ccccc3)cc2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide?
The InChIKey is DBXYQWIXESNRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21-12-16(17(22)19(21)24)18(23)20-11-13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10,22H,11-12H2,1H3,(H,20,23).
What are the key properties of 4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide?
4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).