methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate

C23H31N3O4 — CID 31141082

IUPACmethyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c(C)c1C(=O)OC
InChIInChI=1S/C23H31N3O4/c1-5-18-20(23(28)30-4)15(2)21(25-18)22(27)24-14-19(26-12-6-7-13-26)16-8-10-17(29-3)11-9-16/h8-11,19,25H,5-7,12-14H2,1-4H3,(H,24,27)/t19-/m0/s1
InChIKeyOSJLVFINIDTHAH-IBGZPJMESA-N
MW413.52 g/mol
LogP3.25
Rot. Bonds8

About methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate

methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 31141082) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID31141082
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Namemethyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c(C)c1C(=O)OC
InChIInChI=1S/C23H31N3O4/c1-5-18-20(23(28)30-4)15(2)21(25-18)22(27)24-14-19(26-12-6-7-13-26)16-8-10-17(29-3)11-9-16/h8-11,19,25H,5-7,12-14H2,1-4H3,(H,24,27)/t19-/m0/s1
InChIKeyOSJLVFINIDTHAH-IBGZPJMESA-N
XLogP3.25
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 9451091
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 9451089
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 35131294
4-acetyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 24544227
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 26206969

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate (CID 31141082) is methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is OSJLVFINIDTHAH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H31N3O4/c1-5-18-20(23(28)30-4)15(2)21(25-18)22(27)24-14-19(26-12-6-7-13-26)16-8-10-17(29-3)11-9-16/h8-11,19,25H,5-7,12-14H2,1-4H3,(H,24,27)/t19-/m0/s1.
What are the key properties of methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 413.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 31141082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).