ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate

C19H31N3O4 — CID 30379827

IUPACethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C(C)C)N2CCOCC2)c1C
InChIInChI=1S/C19H31N3O4/c1-6-26-19(24)16-13(4)17(21-14(16)5)18(23)20-11-15(12(2)3)22-7-9-25-10-8-22/h12,15,21H,6-11H2,1-5H3,(H,20,23)/t15-/m0/s1
InChIKeyGLWSJFPETSQTIC-HNNXBMFYSA-N
MW365.47 g/mol
LogP1.89
Rot. Bonds7

About ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate

ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 30379827) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID30379827
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Nameethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C(C)C)N2CCOCC2)c1C
InChIInChI=1S/C19H31N3O4/c1-6-26-19(24)16-13(4)17(21-14(16)5)18(23)20-11-15(12(2)3)22-7-9-25-10-8-22/h12,15,21H,6-11H2,1-5H3,(H,20,23)/t15-/m0/s1
InChIKeyGLWSJFPETSQTIC-HNNXBMFYSA-N
XLogP1.89
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 24650103
4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide
CID 18157774
methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 51909679
methyl 2,4-dimethyl-5-(2-morpholin-4-ylpropanoyl)-1H-pyrrole-3-carboxylate
CID 17399381
ethyl 2,4-dimethyl-5-(prop-2-ynylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 27741125
[(2R)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711710
ethyl 2,4-dimethyl-5-(2-pyrrolidin-1-ylpropanoyl)-1H-pyrrole-3-carboxylate
CID 4877832
ethyl 2,4-dimethyl-5-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 43038546
2-O-ethyl 4-O-[2-(2-methylpropylamino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2704564
ethyl 5-[2-(azepan-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42911796
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733
ethyl 5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 43004802

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate (CID 30379827) is ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C(C)C)N2CCOCC2)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is GLWSJFPETSQTIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-6-26-19(24)16-13(4)17(21-14(16)5)18(23)20-11-15(12(2)3)22-7-9-25-10-8-22/h12,15,21H,6-11H2,1-5H3,(H,20,23)/t15-/m0/s1.
What are the key properties of ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate?
ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 1.89, 7 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-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 30379827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).