ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate

C16H25N3O4 — CID 9465647

IUPACethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)NCCN2CCOCC2)c1C
InChIInChI=1S/C16H25N3O4/c1-4-23-16(21)13-11(2)14(18-12(13)3)15(20)17-5-6-19-7-9-22-10-8-19/h18H,4-10H2,1-3H3,(H,17,20)
InChIKeyNWOSXTVZHMVRSD-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.87
Rot. Bonds6

About ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate

ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate (PubChem CID 9465647) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate
PubChem CID9465647
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nameethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)NCCN2CCOCC2)c1C
InChIInChI=1S/C16H25N3O4/c1-4-23-16(21)13-11(2)14(18-12(13)3)15(20)17-5-6-19-7-9-22-10-8-19/h18H,4-10H2,1-3H3,(H,17,20)
InChIKeyNWOSXTVZHMVRSD-UHFFFAOYSA-N
XLogP0.87
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate (CID 9465647) is ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)NCCN2CCOCC2)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate?
The InChIKey is NWOSXTVZHMVRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-4-23-16(21)13-11(2)14(18-12(13)3)15(20)17-5-6-19-7-9-22-10-8-19/h18H,4-10H2,1-3H3,(H,17,20).
What are the key properties of ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate?
ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 9465647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).