methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate

C20H33N3O4 — CID 51909679

IUPACmethyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NC[C@H](CC(C)C)N2CCOCC2)c(C)c1C(=O)OC
InChIInChI=1S/C20H33N3O4/c1-6-16-17(20(25)26-5)14(4)18(22-16)19(24)21-12-15(11-13(2)3)23-7-9-27-10-8-23/h13,15,22H,6-12H2,1-5H3,(H,21,24)/t15-/m0/s1
InChIKeyBHTJHSXYCVKUFN-HNNXBMFYSA-N
MW379.50 g/mol
LogP2.15
Rot. Bonds8

About methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate

methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 51909679) has the molecular formula C20H33N3O4 and a molecular weight of 379.50 g/mol. Its IUPAC name is methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID51909679
Molecular FormulaC20H33N3O4
Molecular Weight379.50 g/mol
Exact Mass379.25
IUPAC Namemethyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NC[C@H](CC(C)C)N2CCOCC2)c(C)c1C(=O)OC
InChIInChI=1S/C20H33N3O4/c1-6-16-17(20(25)26-5)14(4)18(22-16)19(24)21-12-15(11-13(2)3)23-7-9-27-10-8-23/h13,15,22H,6-12H2,1-5H3,(H,21,24)/t15-/m0/s1
InChIKeyBHTJHSXYCVKUFN-HNNXBMFYSA-N
XLogP2.15
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide
CID 18157774
methyl 2-ethyl-4-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 35070861
methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 51207851
methyl 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 46414423
ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 30379827
methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31141082
4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 17446674
N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrazole-4-carboxamide
CID 60786494
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 2446824
2-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 110403268
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide
CID 46540916

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate (CID 51909679) is methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)NC[C@H](CC(C)C)N2CCOCC2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is BHTJHSXYCVKUFN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H33N3O4/c1-6-16-17(20(25)26-5)14(4)18(22-16)19(24)21-12-15(11-13(2)3)23-7-9-27-10-8-23/h13,15,22H,6-12H2,1-5H3,(H,21,24)/t15-/m0/s1.
What are the key properties of methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 51909679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).