5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide

C18H24N3O3P — CID 174179272

IUPAC5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(OC(C)c2ccc(C)cc2P)c(C(=O)NC)[nH]1
InChIInChI=1S/C18H24N3O3P/c1-5-20-17(22)13-9-14(16(21-13)18(23)19-4)24-11(3)12-7-6-10(2)8-15(12)25/h6-9,11,21H,5,25H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyHBAONTLGLWKJPJ-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.07
Rot. Bonds6

About 5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide

5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide (PubChem CID 174179272) has the molecular formula C18H24N3O3P and a molecular weight of 361.38 g/mol. Its IUPAC name is 5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide
PubChem CID174179272
Molecular FormulaC18H24N3O3P
Molecular Weight361.38 g/mol
Exact Mass361.16
IUPAC Name5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(OC(C)c2ccc(C)cc2P)c(C(=O)NC)[nH]1
InChIInChI=1S/C18H24N3O3P/c1-5-20-17(22)13-9-14(16(21-13)18(23)19-4)24-11(3)12-7-6-10(2)8-15(12)25/h6-9,11,21H,5,25H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyHBAONTLGLWKJPJ-UHFFFAOYSA-N
XLogP2.07
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735492
ethyl 4-[1-(4-chloro-2-fluorophenyl)ethoxy]-5-(methylcarbamoyl)-1H-pyrrole-2-carboxylate
CID 170735620
ethyl 5-(methylcarbamoyl)-4-[(1S)-1-phenylethoxy]-1H-pyrrole-2-carboxylate
CID 170735608
2-N-methyl-3-(1-phenylethoxy)-5-N-propan-2-yl-1H-pyrrole-2,5-dicarboxamide
CID 174177876
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
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-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 174173722
5-acetyl-N-ethyl-4-[(Z)-2-methylidene-1-phenylpent-3-enoxy]-1H-pyrrole-2-carboxamide;ethane;2-N-methyl-3-(1-phenylethoxy)-5-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2,5-dicarboxamide
CID 170735403
5-N-(3,3-difluorocyclobutyl)-2-N-methyl-3-[(1R)-1-phenylethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 170735617
3-[1-(2-fluorophenyl)ethoxy]-5-formyl-N-methyl-1H-pyrrole-2-carboxamide
CID 174203087

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide (CID 174179272) is 5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide is CCNC(=O)c1cc(OC(C)c2ccc(C)cc2P)c(C(=O)NC)[nH]1.
What is the InChIKey of 5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is HBAONTLGLWKJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N3O3P/c1-5-20-17(22)13-9-14(16(21-13)18(23)19-4)24-11(3)12-7-6-10(2)8-15(12)25/h6-9,11,21H,5,25H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of 5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide?
5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 361.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 174179272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).