1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide

C14H23N3O2 — CID 114610635

IUPAC1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
SMILESCOCCNCCNC(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H23N3O2/c1-19-11-9-15-7-8-16-14(18)13-6-3-10-17(13)12-4-2-5-12/h3,6,10,12,15H,2,4-5,7-9,11H2,1H3,(H,16,18)
InChIKeyMGEDJCDLCGWMIC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.18
Rot. Bonds8

About 1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide

1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide (PubChem CID 114610635) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
PubChem CID114610635
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
SMILESCOCCNCCNC(=O)c1cccn1C1CCC1
InChIInChI=1S/C14H23N3O2/c1-19-11-9-15-7-8-16-14(18)13-6-3-10-17(13)12-4-2-5-12/h3,6,10,12,15H,2,4-5,7-9,11H2,1H3,(H,16,18)
InChIKeyMGEDJCDLCGWMIC-UHFFFAOYSA-N
XLogP1.18
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
CID 114610660
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclobutyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 114610271
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 114609625
2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 114608759
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 114609401
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide (CID 114610635) is 1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide is COCCNCCNC(=O)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide?
The InChIKey is MGEDJCDLCGWMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-19-11-9-15-7-8-16-14(18)13-6-3-10-17(13)12-4-2-5-12/h3,6,10,12,15H,2,4-5,7-9,11H2,1H3,(H,16,18).
What are the key properties of 1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide?
1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114610635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).