methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate

C20H25NO5 — CID 42851523

IUPACmethyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate
SMILESCCn1c(C)c(C(=O)C(C)Oc2cccc(OC)c2)c(C)c1C(=O)OC
InChIInChI=1S/C20H25NO5/c1-7-21-13(3)17(12(2)18(21)20(23)25-6)19(22)14(4)26-16-10-8-9-15(11-16)24-5/h8-11,14H,7H2,1-6H3
InChIKeyOUMPATLYVJPYFE-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.57
Rot. Bonds7

About methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate

methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate (PubChem CID 42851523) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate
PubChem CID42851523
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Namemethyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate
SMILESCCn1c(C)c(C(=O)C(C)Oc2cccc(OC)c2)c(C)c1C(=O)OC
InChIInChI=1S/C20H25NO5/c1-7-21-13(3)17(12(2)18(21)20(23)25-6)19(22)14(4)26-16-10-8-9-15(11-16)24-5/h8-11,14H,7H2,1-6H3
InChIKeyOUMPATLYVJPYFE-UHFFFAOYSA-N
XLogP3.57
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(2S)-2-[cyclopropyl-(3-methoxybenzoyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 93145489
methyl 4-[2-[3-ethoxypropyl-(3-methoxybenzoyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42677864
methyl 4-[2-(cyclopropylamino)propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42666620
methyl 4-[2-[cyclohexyl-(4-methoxybenzoyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42679413
methyl 1-ethyl-3,5-dimethyl-4-[2-(propan-2-ylamino)acetyl]pyrrole-2-carboxylate
CID 42666607
methyl 4-[(2R)-2-[benzenesulfonyl(propyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 93145574
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
methyl 4-[2-[benzoyl(3-methoxypropyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42679426
methyl 4-[2-[(3-methoxybenzoyl)-propan-2-ylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677448
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
methyl 1-ethyl-4-[2-[(4-fluorobenzoyl)-(3-methylbutyl)amino]propanoyl]-3,5-dimethylpyrrole-2-carboxylate
CID 42679488
N,N-diethyl-2-(3-methoxyphenoxy)propanamide
CID 19203980

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate (CID 42851523) is methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate is CCn1c(C)c(C(=O)C(C)Oc2cccc(OC)c2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate?
The InChIKey is OUMPATLYVJPYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-7-21-13(3)17(12(2)18(21)20(23)25-6)19(22)14(4)26-16-10-8-9-15(11-16)24-5/h8-11,14H,7H2,1-6H3.
What are the key properties of methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate?
methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate has a molecular weight of 359.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4-[2-(3-methoxyphenoxy)propanoyl]-3,5-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 42851523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).