2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate

C21H26N2O4 — CID 55759497

IUPAC2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)[nH]c(C(=O)NC2(c3ccccc3)CCC2)c1C
InChIInChI=1S/C21H26N2O4/c1-14-17(20(25)27-13-12-26-3)15(2)22-18(14)19(24)23-21(10-7-11-21)16-8-5-4-6-9-16/h4-6,8-9,22H,7,10-13H2,1-3H3,(H,23,24)
InChIKeyZIOGLQKAEKLUKF-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.24
Rot. Bonds7

About 2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate

2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 55759497) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID55759497
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)[nH]c(C(=O)NC2(c3ccccc3)CCC2)c1C
InChIInChI=1S/C21H26N2O4/c1-14-17(20(25)27-13-12-26-3)15(2)22-18(14)19(24)23-21(10-7-11-21)16-8-5-4-6-9-16/h4-6,8-9,22H,7,10-13H2,1-3H3,(H,23,24)
InChIKeyZIOGLQKAEKLUKF-UHFFFAOYSA-N
XLogP3.24
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 55719430
2-methoxyethyl 2,4-dimethyl-5-[(4-phenoxyphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 46488018
methyl 5-acetyl-4-methyl-2-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]-1H-pyrrole-3-carboxylate
CID 51273218
2-methoxyethyl 5-(cyclopropylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46488566
2-methoxyethyl 2,4-dimethyl-5-[[phenyl(pyridin-2-yl)methyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46472214
2-O-ethyl 4-O-(2-methoxyethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2554554
2-methoxyethyl 5-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55761661
2-methoxyethyl 5-[(2-butoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55905372
2-O-(2-ethoxyphenyl) 4-O-(2-methoxyethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 55755829
2-methoxyethyl 2,4-dimethyl-5-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 55718857
2-methoxyethyl 2,4-dimethyl-5-[methyl-[(4-phenylphenyl)methyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55718616
methyl 2,4-dimethyl-5-(phenylmethoxycarbamoyl)-1H-pyrrole-3-carboxylate
CID 17426403

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate (CID 55759497) is 2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate is COCCOC(=O)c1c(C)[nH]c(C(=O)NC2(c3ccccc3)CCC2)c1C.
What is the InChIKey of 2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is ZIOGLQKAEKLUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-17(20(25)27-13-12-26-3)15(2)22-18(14)19(24)23-21(10-7-11-21)16-8-5-4-6-9-16/h4-6,8-9,22H,7,10-13H2,1-3H3,(H,23,24).
What are the key properties of 2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate?
2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2,4-dimethyl-5-[(1-phenylcyclobutyl)carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55759497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).