ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C21H25N3O4 — CID 51129932

IUPACethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(ccn3CCOC)c2)c1C
InChIInChI=1S/C21H25N3O4/c1-5-28-21(26)18-13(2)19(22-14(18)3)20(25)23-16-6-7-17-15(12-16)8-9-24(17)10-11-27-4/h6-9,12,22H,5,10-11H2,1-4H3,(H,23,25)
InChIKeyFCCLAEJMYWSKPH-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.66
Rot. Bonds7

About ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 51129932) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID51129932
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Nameethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(ccn3CCOC)c2)c1C
InChIInChI=1S/C21H25N3O4/c1-5-28-21(26)18-13(2)19(22-14(18)3)20(25)23-16-6-7-17-15(12-16)8-9-24(17)10-11-27-4/h6-9,12,22H,5,10-11H2,1-4H3,(H,23,25)
InChIKeyFCCLAEJMYWSKPH-UHFFFAOYSA-N
XLogP3.66
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide
CID 49498040
ethyl 5-[(4-fluorophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2094567
ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 55766227
2-methoxyethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46487863
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
2-methoxyethyl 2,4-dimethyl-5-[[4-methyl-3-(tetrazol-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55760816
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
2-methoxyethyl 2,4-dimethyl-5-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 46471936
ethyl 2,4-dimethyl-5-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55493848
N-[1-(2-methoxyethyl)indol-5-yl]pyrazine-2-carboxamide
CID 51101814
2-methoxyethyl 2,4-dimethyl-5-[(4-phenoxyphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 46488018
ethyl 5-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27902152

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 51129932) is ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(ccn3CCOC)c2)c1C.
What is the InChIKey of ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is FCCLAEJMYWSKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-5-28-21(26)18-13(2)19(22-14(18)3)20(25)23-16-6-7-17-15(12-16)8-9-24(17)10-11-27-4/h6-9,12,22H,5,10-11H2,1-4H3,(H,23,25).
What are the key properties of ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 51129932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).