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

C18H23N3O3 — CID 174177876

IUPAC2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide
SMILESCNC(=O)c1[nH]c(C(=O)NC(C)C)cc1OC(C)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-11(2)20-17(22)14-10-15(16(21-14)18(23)19-4)24-12(3)13-8-6-5-7-9-13/h5-12,21H,1-4H3,(H,19,23)(H,20,22)
InChIKeyIWANLFOAVQWIBU-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.65
Rot. Bonds6

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

2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide (PubChem CID 174177876) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide
PubChem CID174177876
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide
SMILESCNC(=O)c1[nH]c(C(=O)NC(C)C)cc1OC(C)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-11(2)20-17(22)14-10-15(16(21-14)18(23)19-4)24-12(3)13-8-6-5-7-9-13/h5-12,21H,1-4H3,(H,19,23)(H,20,22)
InChIKeyIWANLFOAVQWIBU-UHFFFAOYSA-N
XLogP2.65
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide (CID 174177876) is 2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide is CNC(=O)c1[nH]c(C(=O)NC(C)C)cc1OC(C)c1ccccc1.
What is the InChIKey of 2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is IWANLFOAVQWIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(2)20-17(22)14-10-15(16(21-14)18(23)19-4)24-12(3)13-8-6-5-7-9-13/h5-12,21H,1-4H3,(H,19,23)(H,20,22).
What are the key properties of 2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide?
2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 174177876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).