5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide

C18H23N3O4 — CID 170735483

IUPAC5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(O[C@H](C)c2cccc(OC)c2)c(C(=O)NC)[nH]1
InChIInChI=1S/C18H23N3O4/c1-5-20-17(22)14-10-15(16(21-14)18(23)19-3)25-11(2)12-7-6-8-13(9-12)24-4/h6-11,21H,5H2,1-4H3,(H,19,23)(H,20,22)/t11-/m1/s1
InChIKeyDCDTVULGHIHGCO-LLVKDONJSA-N
MW345.40 g/mol
LogP2.27
Rot. Bonds7

About 5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide

5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide (PubChem CID 170735483) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
PubChem CID170735483
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(O[C@H](C)c2cccc(OC)c2)c(C(=O)NC)[nH]1
InChIInChI=1S/C18H23N3O4/c1-5-20-17(22)14-10-15(16(21-14)18(23)19-3)25-11(2)12-7-6-8-13(9-12)24-4/h6-11,21H,5H2,1-4H3,(H,19,23)(H,20,22)/t11-/m1/s1
InChIKeyDCDTVULGHIHGCO-LLVKDONJSA-N
XLogP2.27
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1R)-1-(3,4-difluorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735513
3-[1-(4-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735497
3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735492
3-[1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide;5-N-ethyl-2-N-methyl-3-(1-phenylbutoxy)-1H-pyrrole-2,5-dicarboxamide
CID 170735628
ethyl 5-(methylcarbamoyl)-4-[(1S)-1-phenylethoxy]-1H-pyrrole-2-carboxylate
CID 170735608
ethyl 4-[1-(4-chlorophenyl)ethoxy]-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
CID 170735399
5-N-ethyl-3-[(3E,4Z)-3-ethylidene-6-fluorohepta-4,6-dien-2-yl]oxy-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735546
5-N-(3,3-difluorocyclobutyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735617
5-N-[(1S,3S)-3-hydroxycyclopentyl]-2-N-methyl-3-[(1S)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735592
ethyl 4-[1-(4-ethynylphenyl)ethoxy]-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
CID 170735485
ethyl 4-[1-(4-chloro-2-fluorophenyl)ethoxy]-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
CID 170735620
4-amino-N-ethyl-3-(3-methoxyphenyl)butanamide
CID 112511303

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide (CID 170735483) is 5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide is CCNC(=O)c1cc(O[C@H](C)c2cccc(OC)c2)c(C(=O)NC)[nH]1.
What is the InChIKey of 5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is DCDTVULGHIHGCO-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-5-20-17(22)14-10-15(16(21-14)18(23)19-3)25-11(2)12-7-6-8-13(9-12)24-4/h6-11,21H,5H2,1-4H3,(H,19,23)(H,20,22)/t11-/m1/s1.
What are the key properties of 5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 170735483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).