3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide

C25H28N2O5 — CID 57133679

IUPAC3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide
SMILESCCOc1ccc(C(CC(N)=O)c2[nH]ccc2C(=O)c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C25H28N2O5/c1-4-31-21-11-8-17(14-22(21)32-5-2)20(15-23(26)28)24-19(12-13-27-24)25(29)16-6-9-18(30-3)10-7-16/h6-14,20,27H,4-5,15H2,1-3H3,(H2,26,28)
InChIKeyGZPLXAFFHOGWPP-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.06
Rot. Bonds11

About 3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide

3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide (PubChem CID 57133679) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide
PubChem CID57133679
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide
SMILESCCOc1ccc(C(CC(N)=O)c2[nH]ccc2C(=O)c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C25H28N2O5/c1-4-31-21-11-8-17(14-22(21)32-5-2)20(15-23(26)28)24-19(12-13-27-24)25(29)16-6-9-18(30-3)10-7-16/h6-14,20,27H,4-5,15H2,1-3H3,(H2,26,28)
InChIKeyGZPLXAFFHOGWPP-UHFFFAOYSA-N
XLogP4.06
TPSA103.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide (CID 57133679) is 3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide is CCOc1ccc(C(CC(N)=O)c2[nH]ccc2C(=O)c2ccc(OC)cc2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide?
The InChIKey is GZPLXAFFHOGWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-4-31-21-11-8-17(14-22(21)32-5-2)20(15-23(26)28)24-19(12-13-27-24)25(29)16-6-9-18(30-3)10-7-16/h6-14,20,27H,4-5,15H2,1-3H3,(H2,26,28).
What are the key properties of 3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide?
3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide has a molecular weight of 436.51 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-3-[3-(4-methoxybenzoyl)-1H-pyrrol-2-yl]propanamide is sourced from PubChem (CID 57133679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).