N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide

C17H27N3O3 — CID 136536686

IUPACN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide
SMILESCCOC1CC(CNC(=O)c2ccn(C)c2)(N2CCOCC2)C1
InChIInChI=1S/C17H27N3O3/c1-3-23-15-10-17(11-15,20-6-8-22-9-7-20)13-18-16(21)14-4-5-19(2)12-14/h4-5,12,15H,3,6-11,13H2,1-2H3,(H,18,21)
InChIKeyJJCHQWIYBPDYKR-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.02
Rot. Bonds6

About N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide

N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide (PubChem CID 136536686) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide
PubChem CID136536686
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide
SMILESCCOC1CC(CNC(=O)c2ccn(C)c2)(N2CCOCC2)C1
InChIInChI=1S/C17H27N3O3/c1-3-23-15-10-17(11-15,20-6-8-22-9-7-20)13-18-16(21)14-4-5-19(2)12-14/h4-5,12,15H,3,6-11,13H2,1-2H3,(H,18,21)
InChIKeyJJCHQWIYBPDYKR-UHFFFAOYSA-N
XLogP1.02
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide (CID 136536686) is N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide is CCOC1CC(CNC(=O)c2ccn(C)c2)(N2CCOCC2)C1.
What is the InChIKey of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide?
The InChIKey is JJCHQWIYBPDYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-23-15-10-17(11-15,20-6-8-22-9-7-20)13-18-16(21)14-4-5-19(2)12-14/h4-5,12,15H,3,6-11,13H2,1-2H3,(H,18,21).
What are the key properties of N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide?
N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 136536686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).