methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate

C20H25N3O5 — CID 48502076

IUPACmethyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NCC(=O)NCc2ccc(OC)cc2)c(C)c1C(=O)OC
InChIInChI=1S/C20H25N3O5/c1-5-15-17(20(26)28-4)12(2)18(23-15)19(25)22-11-16(24)21-10-13-6-8-14(27-3)9-7-13/h6-9,23H,5,10-11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyGKUREOSHEDCGFM-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.73
Rot. Bonds8

About methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate

methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 48502076) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID48502076
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Namemethyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NCC(=O)NCc2ccc(OC)cc2)c(C)c1C(=O)OC
InChIInChI=1S/C20H25N3O5/c1-5-15-17(20(26)28-4)12(2)18(23-15)19(25)22-11-16(24)21-10-13-6-8-14(27-3)9-7-13/h6-9,23H,5,10-11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyGKUREOSHEDCGFM-UHFFFAOYSA-N
XLogP1.73
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 2-ethyl-4-methyl-5-[[4-(methylsulfamoylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 33117792
methyl 5-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 31448998
methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31141082
methyl 5-[2-(4-methoxyphenyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51157865
6-methoxy-N-[(4-methoxyphenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205411
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 122144197
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
methyl 2,4-dimethyl-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 17409445
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate (CID 48502076) is methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)NCC(=O)NCc2ccc(OC)cc2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is GKUREOSHEDCGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-5-15-17(20(26)28-4)12(2)18(23-15)19(25)22-11-16(24)21-10-13-6-8-14(27-3)9-7-13/h6-9,23H,5,10-11H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 48502076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).