2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide

C20H32N2O3 — CID 138058324

IUPAC2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(OC(C)(C)C)C2)c(C)n1C1CCOCC1
InChIInChI=1S/C20H32N2O3/c1-13-10-18(14(2)22(13)16-6-8-24-9-7-16)19(23)21-15-11-17(12-15)25-20(3,4)5/h10,15-17H,6-9,11-12H2,1-5H3,(H,21,23)
InChIKeyRPWLHIHIBNZOKZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.53
Rot. Bonds4

About 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide

2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide (PubChem CID 138058324) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide
PubChem CID138058324
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(OC(C)(C)C)C2)c(C)n1C1CCOCC1
InChIInChI=1S/C20H32N2O3/c1-13-10-18(14(2)22(13)16-6-8-24-9-7-16)19(23)21-15-11-17(12-15)25-20(3,4)5/h10,15-17H,6-9,11-12H2,1-5H3,(H,21,23)
InChIKeyRPWLHIHIBNZOKZ-UHFFFAOYSA-N
XLogP3.53
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide (CID 138058324) is 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC2CC(OC(C)(C)C)C2)c(C)n1C1CCOCC1.
What is the InChIKey of 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide?
The InChIKey is RPWLHIHIBNZOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-13-10-18(14(2)22(13)16-6-8-24-9-7-16)19(23)21-15-11-17(12-15)25-20(3,4)5/h10,15-17H,6-9,11-12H2,1-5H3,(H,21,23).
What are the key properties of 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide?
2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-(oxan-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 138058324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).