N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide

C15H18N2O2 — CID 3240577

IUPACN-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)CCn2cccc2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-19-14-7-5-13(6-8-14)16-15(18)9-12-17-10-3-4-11-17/h3-8,10-11H,2,9,12H2,1H3,(H,16,18)
InChIKeyDLTGEGLTKANYFW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.92
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide

N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 3240577) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID3240577
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)CCn2cccc2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-19-14-7-5-13(6-8-14)16-15(18)9-12-17-10-3-4-11-17/h3-8,10-11H,2,9,12H2,1H3,(H,16,18)
InChIKeyDLTGEGLTKANYFW-UHFFFAOYSA-N
XLogP2.92
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 3240577) is N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide is CCOc1ccc(NC(=O)CCn2cccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is DLTGEGLTKANYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-19-14-7-5-13(6-8-14)16-15(18)9-12-17-10-3-4-11-17/h3-8,10-11H,2,9,12H2,1H3,(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide?
N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3240577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).