methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate

C20H30N2O5 — CID 42677004

IUPACmethyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOCCCN(CC(=O)c1c(C)c(C(=O)OC)n(C)c1C)C(=O)C1CC1
InChIInChI=1S/C20H30N2O5/c1-6-27-11-7-10-22(19(24)15-8-9-15)12-16(23)17-13(2)18(20(25)26-5)21(4)14(17)3/h15H,6-12H2,1-5H3
InChIKeyIOXNBUWKSIVOES-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.28
Rot. Bonds10

About methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate

methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 42677004) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID42677004
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Namemethyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCCOCCCN(CC(=O)c1c(C)c(C(=O)OC)n(C)c1C)C(=O)C1CC1
InChIInChI=1S/C20H30N2O5/c1-6-27-11-7-10-22(19(24)15-8-9-15)12-16(23)17-13(2)18(20(25)26-5)21(4)14(17)3/h15H,6-12H2,1-5H3
InChIKeyIOXNBUWKSIVOES-UHFFFAOYSA-N
XLogP2.28
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-[cyclobutanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 83285718
ethyl 4-[2-[cyclopentanecarbonyl(propyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42670598
methyl 4-[2-[ethylcarbamoyl(3-methoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677063
methyl 4-[2-[cyclobutanecarbonyl(3-methylbutyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42677867
ethyl 4-[2-[2-methoxyethyl(propanoyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42671191
ethyl 4-[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42672737
methyl 4-[2-[2-methoxyethyl(3-methylbutanoyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42822935
methyl 4-[2-[3-methoxypropyl(thiophene-2-carbonyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42676935
methyl 4-[2-[cyclohexyl-(2-methoxyacetyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42676928
methyl 4-[2-[3-ethoxypropyl-(3-methoxybenzoyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42677864
methyl 4-[2-[cyclobutanecarbonyl(methyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42677899
methyl 4-[2-[furan-2-ylmethyl(propanoyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42675864

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 42677004) is methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate is CCOCCCN(CC(=O)c1c(C)c(C(=O)OC)n(C)c1C)C(=O)C1CC1.
What is the InChIKey of methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is IOXNBUWKSIVOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-6-27-11-7-10-22(19(24)15-8-9-15)12-16(23)17-13(2)18(20(25)26-5)21(4)14(17)3/h15H,6-12H2,1-5H3.
What are the key properties of methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 2.28, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[cyclopropanecarbonyl(3-ethoxypropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 42677004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).