2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide

C18H21N3O4 — CID 170735550

IUPAC2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide
SMILESCNC(=O)c1[nH]c(C(=O)NC2COC2)cc1OC(C)c1ccccc1
InChIInChI=1S/C18H21N3O4/c1-11(12-6-4-3-5-7-12)25-15-8-14(21-16(15)18(23)19-2)17(22)20-13-9-24-10-13/h3-8,11,13,21H,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyVIUJLBLLAIUEQV-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.64
Rot. Bonds6

About 2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide

2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide (PubChem CID 170735550) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide
PubChem CID170735550
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide
SMILESCNC(=O)c1[nH]c(C(=O)NC2COC2)cc1OC(C)c1ccccc1
InChIInChI=1S/C18H21N3O4/c1-11(12-6-4-3-5-7-12)25-15-8-14(21-16(15)18(23)19-2)17(22)20-13-9-24-10-13/h3-8,11,13,21H,9-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyVIUJLBLLAIUEQV-UHFFFAOYSA-N
XLogP1.64
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide (CID 170735550) is 2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide is CNC(=O)c1[nH]c(C(=O)NC2COC2)cc1OC(C)c1ccccc1.
What is the InChIKey of 2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is VIUJLBLLAIUEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(12-6-4-3-5-7-12)25-15-8-14(21-16(15)18(23)19-2)17(22)20-13-9-24-10-13/h3-8,11,13,21H,9-10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide?
2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-N-(oxetan-3-yl)-3-(1-phenylethoxy)-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 170735550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).