ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

C23H28F3N3O5 — CID 42822048

IUPACethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)C(C)N(CCOC)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C23H28F3N3O5/c1-6-34-21(31)19-13(2)18(14(3)27-19)20(30)15(4)29(11-12-33-5)22(32)28-17-9-7-16(8-10-17)23(24,25)26/h7-10,15,27H,6,11-12H2,1-5H3,(H,28,32)
InChIKeyCFPRFKORMJCVNV-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.58
Rot. Bonds9

About ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 42822048) has the molecular formula C23H28F3N3O5 and a molecular weight of 483.49 g/mol. Its IUPAC name is ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID42822048
Molecular FormulaC23H28F3N3O5
Molecular Weight483.49 g/mol
Exact Mass483.20
IUPAC Nameethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(C(=O)C(C)N(CCOC)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C23H28F3N3O5/c1-6-34-21(31)19-13(2)18(14(3)27-19)20(30)15(4)29(11-12-33-5)22(32)28-17-9-7-16(8-10-17)23(24,25)26/h7-10,15,27H,6,11-12H2,1-5H3,(H,28,32)
InChIKeyCFPRFKORMJCVNV-UHFFFAOYSA-N
XLogP4.58
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 4-[(2R)-2-[2-methoxyethyl(propan-2-ylcarbamoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93140008
ethyl 4-[(2S)-2-[2-methoxyethyl(2-methylpropanoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93139955
ethyl 4-[2-[(4-ethoxy-4-oxobutanoyl)-(2-methoxyethyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 46130587
methyl 4-[2-[ethylcarbamoyl(2-methoxyethyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674514
ethyl 4-[(2R)-2-[acetyl(3-methoxypropyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93141252
ethyl 4-[2-[2-methoxyethyl-(4-nitrobenzoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42800464
ethyl 4-[2-[3-methoxypropyl(3-methylbutanoyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42822503
ethyl 4-[2-[(4-methoxybenzoyl)-(3-methoxypropyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674413
ethyl 4-[2-[ethylcarbamoyl-[(4-fluorophenyl)methyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674521
ethyl 4-[2-[acetyl(propyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674423
ethyl 4-[(2S)-2-[furan-2-carbonyl(3-methoxypropyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93141251
methyl 4-[2-[(4-chlorobenzoyl)-(2-methoxyethyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674362

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 42822048) is ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(C(=O)C(C)N(CCOC)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is CFPRFKORMJCVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O5/c1-6-34-21(31)19-13(2)18(14(3)27-19)20(30)15(4)29(11-12-33-5)22(32)28-17-9-7-16(8-10-17)23(24,25)26/h7-10,15,27H,6,11-12H2,1-5H3,(H,28,32).
What are the key properties of ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 483.49 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-methoxyethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 42822048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).