methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate

C22H29N3O4 — CID 51207851

IUPACmethyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NCc2ccccc2CN2CCOCC2)c(C)c1C(=O)OC
InChIInChI=1S/C22H29N3O4/c1-4-18-19(22(27)28-3)15(2)20(24-18)21(26)23-13-16-7-5-6-8-17(16)14-25-9-11-29-12-10-25/h5-8,24H,4,9-14H2,1-3H3,(H,23,26)
InChIKeyWNVUYAKTMJFVHM-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.43
Rot. Bonds7

About methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate

methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 51207851) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID51207851
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Namemethyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NCc2ccccc2CN2CCOCC2)c(C)c1C(=O)OC
InChIInChI=1S/C22H29N3O4/c1-4-18-19(22(27)28-3)15(2)20(24-18)21(26)23-13-16-7-5-6-8-17(16)14-25-9-11-29-12-10-25/h5-8,24H,4,9-14H2,1-3H3,(H,23,26)
InChIKeyWNVUYAKTMJFVHM-UHFFFAOYSA-N
XLogP2.43
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate
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5-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-nitro-1H-pyrazole-3-carboxamide
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methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 47123246
methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 51187269
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
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methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate
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4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 17446674
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate (CID 51207851) is methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)NCc2ccccc2CN2CCOCC2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is WNVUYAKTMJFVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-4-18-19(22(27)28-3)15(2)20(24-18)21(26)23-13-16-7-5-6-8-17(16)14-25-9-11-29-12-10-25/h5-8,24H,4,9-14H2,1-3H3,(H,23,26).
What are the key properties of methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 2.43, 7 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-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 51207851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).