2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide

C24H26N2O3 — CID 20885261

IUPAC2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)Cn2c(-c3ccccc3)cc(C(C)=O)c2C)cc1
InChIInChI=1S/C24H26N2O3/c1-4-29-21-12-10-19(11-13-21)15-25-24(28)16-26-17(2)22(18(3)27)14-23(26)20-8-6-5-7-9-20/h5-14H,4,15-16H2,1-3H3,(H,25,28)
InChIKeyXSSVMGNUFQFPIS-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.38
Rot. Bonds8

About 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide (PubChem CID 20885261) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide
PubChem CID20885261
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)Cn2c(-c3ccccc3)cc(C(C)=O)c2C)cc1
InChIInChI=1S/C24H26N2O3/c1-4-29-21-12-10-19(11-13-21)15-25-24(28)16-26-17(2)22(18(3)27)14-23(26)20-8-6-5-7-9-20/h5-14H,4,15-16H2,1-3H3,(H,25,28)
InChIKeyXSSVMGNUFQFPIS-UHFFFAOYSA-N
XLogP4.38
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide
CID 20885262
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20969537
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 3665065
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 5061569
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063810
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
[2-(benzylamino)-2-oxoethyl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 2462349
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
N-[(4-ethoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167842
ethyl 1-[3-(4-methoxyanilino)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 4620061

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide (CID 20885261) is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide is CCOc1ccc(CNC(=O)Cn2c(-c3ccccc3)cc(C(C)=O)c2C)cc1.
What is the InChIKey of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide?
The InChIKey is XSSVMGNUFQFPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-4-29-21-12-10-19(11-13-21)15-25-24(28)16-26-17(2)22(18(3)27)14-23(26)20-8-6-5-7-9-20/h5-14H,4,15-16H2,1-3H3,(H,25,28).
What are the key properties of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide?
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20885261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).