N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide

C17H22N2O3 — CID 3239178

IUPACN-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCn2cccc2)c1
InChIInChI=1S/C17H22N2O3/c1-3-21-14-7-8-16(22-4-2)15(13-14)18-17(20)9-12-19-10-5-6-11-19/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,18,20)
InChIKeyNIBJAHBJTIZKCV-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.31
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide

N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 3239178) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID3239178
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCn2cccc2)c1
InChIInChI=1S/C17H22N2O3/c1-3-21-14-7-8-16(22-4-2)15(13-14)18-17(20)9-12-19-10-5-6-11-19/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,18,20)
InChIKeyNIBJAHBJTIZKCV-UHFFFAOYSA-N
XLogP3.31
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 3239178) is N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide is CCOc1ccc(OCC)c(NC(=O)CCn2cccc2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is NIBJAHBJTIZKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-21-14-7-8-16(22-4-2)15(13-14)18-17(20)9-12-19-10-5-6-11-19/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,18,20).
What are the key properties of N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide?
N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 302.37 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3239178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).