N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide

C19H24N2O3 — CID 26020198

IUPACN-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)c2cc(C)n(C(C)C)c2C)cc1
InChIInChI=1S/C19H24N2O3/c1-12(2)21-13(3)10-18(14(21)4)19(23)11-24-17-8-6-16(7-9-17)20-15(5)22/h6-10,12H,11H2,1-5H3,(H,20,22)
InChIKeyQRCKSRULPHSLHG-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.91
Rot. Bonds6

About N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide

N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 26020198) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide
PubChem CID26020198
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)c2cc(C)n(C(C)C)c2C)cc1
InChIInChI=1S/C19H24N2O3/c1-12(2)21-13(3)10-18(14(21)4)19(23)11-24-17-8-6-16(7-9-17)20-15(5)22/h6-10,12H,11H2,1-5H3,(H,20,22)
InChIKeyQRCKSRULPHSLHG-UHFFFAOYSA-N
XLogP3.91
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-Methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidyl)ethan-1-o ne
CID 704877
2-chloro-1-(1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 1537017
2-[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
CID 2109651
2-[2-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
CID 2525555
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(carbamoylamino)propanoate
CID 3569398
N-[4-[[4-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethoxy]phenyl]-methylsulfamoyl]phenyl]acetamide
CID 4788842
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(3-nitrophenoxy)ethanone
CID 4793954
Ethanone, 1-(4-acetyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl)-
CID 183411
3-[3-[2-(2-Carbamoylphenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester
CID 2475619
N-[2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide
CID 2524461
CB2 Inhibitor, 4
CID 7599208
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 2363200

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide (CID 26020198) is N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(=O)c2cc(C)n(C(C)C)c2C)cc1.
What is the InChIKey of N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is QRCKSRULPHSLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(2)21-13(3)10-18(14(21)4)19(23)11-24-17-8-6-16(7-9-17)20-15(5)22/h6-10,12H,11H2,1-5H3,(H,20,22).
What are the key properties of N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 26020198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).