3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide

C19H23N3O4 — CID 170735492

IUPAC3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(O[C@@H](C)c2ccc3c(c2)COC3)c(C(=O)NC)[nH]1
InChIInChI=1S/C19H23N3O4/c1-4-21-18(23)15-8-16(17(22-15)19(24)20-3)26-11(2)12-5-6-13-9-25-10-14(13)7-12/h5-8,11,22H,4,9-10H2,1-3H3,(H,20,24)(H,21,23)/t11-/m0/s1
InChIKeyVCKWMCQPIFKZGQ-NSHDSACASA-N
MW357.41 g/mol
LogP2.29
Rot. Bonds6

About 3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide

3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide (PubChem CID 170735492) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
PubChem CID170735492
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(O[C@@H](C)c2ccc3c(c2)COC3)c(C(=O)NC)[nH]1
InChIInChI=1S/C19H23N3O4/c1-4-21-18(23)15-8-16(17(22-15)19(24)20-3)26-11(2)12-5-6-13-9-25-10-14(13)7-12/h5-8,11,22H,4,9-10H2,1-3H3,(H,20,24)(H,21,23)/t11-/m0/s1
InChIKeyVCKWMCQPIFKZGQ-NSHDSACASA-N
XLogP2.29
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735483
5-N-ethyl-2-N-methyl-3-[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735686
5-N-ethyl-2-N-methyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735599
5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 174179272
4-[1-(1,3-dihydro-2-benzofuran-4-yl)ethoxy]-N-ethyl-5-(2-iodoacetyl)-1H-pyrrole-2-carboxamide
CID 174178648
2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide
CID 174177876
ethyl 4-[1-(4-chlorophenyl)ethoxy]-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
CID 170735399
ethyl 5-(methylcarbamoyl)-4-[(1S)-1-phenylethoxy]-1H-pyrrole-2-carboxylate
CID 170735608
ethyl 4-[1-(4-ethynylphenyl)ethoxy]-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
CID 170735485

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide (CID 170735492) is 3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide is CCNC(=O)c1cc(O[C@@H](C)c2ccc3c(c2)COC3)c(C(=O)NC)[nH]1.
What is the InChIKey of 3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is VCKWMCQPIFKZGQ-NSHDSACASA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-21-18(23)15-8-16(17(22-15)19(24)20-3)26-11(2)12-5-6-13-9-25-10-14(13)7-12/h5-8,11,22H,4,9-10H2,1-3H3,(H,20,24)(H,21,23)/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 170735492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).