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

C21H22N2O5 — CID 90330455

IUPAC4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCCCOc2ccc(Oc3ccccc3)cc2)=C(O)C1=O
InChIInChI=1S/C21H22N2O5/c1-23-14-18(19(24)21(23)26)20(25)22-12-5-13-27-15-8-10-17(11-9-15)28-16-6-3-2-4-7-16/h2-4,6-11,24H,5,12-14H2,1H3,(H,22,25)
InChIKeyCMJKAQOHNNBZCB-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.65
Rot. Bonds8

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

4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide (PubChem CID 90330455) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide
PubChem CID90330455
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCCCOc2ccc(Oc3ccccc3)cc2)=C(O)C1=O
InChIInChI=1S/C21H22N2O5/c1-23-14-18(19(24)21(23)26)20(25)22-12-5-13-27-15-8-10-17(11-9-15)28-16-6-3-2-4-7-16/h2-4,6-11,24H,5,12-14H2,1H3,(H,22,25)
InChIKeyCMJKAQOHNNBZCB-UHFFFAOYSA-N
XLogP2.65
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-chlorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330559
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-phenoxyethyl)-2H-pyrrole-3-carboxamide
CID 71515507
N-[[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 71548656
methyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
CID 142063187
2-(4-phenoxyphenoxy)ethylcarbamothioic S-acid
CID 88759016
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
2,5-dihydroxy-N-(3-phenoxypropyl)benzamide
CID 107722899
4-hydroxy-1-methyl-N-[2-(2-methylquinolin-4-yl)sulfanylethyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 90324415
4-hydroxy-1-methyl-3-(5-phenoxypyrimidin-2-yl)-2H-pyrrol-5-one
CID 135829417
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748
N-methyl-3-phenoxypropan-1-amine
CID 22067856
4-bromo-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 60698861

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide (CID 90330455) is 4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCCCOc2ccc(Oc3ccccc3)cc2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide?
The InChIKey is CMJKAQOHNNBZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-23-14-18(19(24)21(23)26)20(25)22-12-5-13-27-15-8-10-17(11-9-15)28-16-6-3-2-4-7-16/h2-4,6-11,24H,5,12-14H2,1H3,(H,22,25).
What are the key properties of 4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide?
4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-oxo-N-[3-(4-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).