2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide

C18H20N2O3 — CID 2525555

IUPAC2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
SMILESCc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C18H20N2O3/c1-11-9-15(12(2)20(11)13-7-8-13)16(21)10-23-17-6-4-3-5-14(17)18(19)22/h3-6,9,13H,7-8,10H2,1-2H3,(H2,19,22)
InChIKeyYGBPAQMFYBVPPF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.80
Rot. Bonds6

About 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide

2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide (PubChem CID 2525555) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
PubChem CID2525555
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
SMILESCc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C18H20N2O3/c1-11-9-15(12(2)20(11)13-7-8-13)16(21)10-23-17-6-4-3-5-14(17)18(19)22/h3-6,9,13H,7-8,10H2,1-2H3,(H2,19,22)
InChIKeyYGBPAQMFYBVPPF-UHFFFAOYSA-N
XLogP2.80
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide (CID 2525555) is 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide is Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1C1CC1.
What is the InChIKey of 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide?
The InChIKey is YGBPAQMFYBVPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-9-15(12(2)20(11)13-7-8-13)16(21)10-23-17-6-4-3-5-14(17)18(19)22/h3-6,9,13H,7-8,10H2,1-2H3,(H2,19,22).
What are the key properties of 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide?
2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 2525555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).