N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide

C21H26N2O4 — CID 4675996

IUPACN-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(CC2CCCO2)c1C
InChIInChI=1S/C21H26N2O4/c1-14-11-18(15(2)23(14)12-17-7-6-10-26-17)20(25)13-27-21-9-5-4-8-19(21)22-16(3)24/h4-5,8-9,11,17H,6-7,10,12-13H2,1-3H3,(H,22,24)
InChIKeyZPBCOFFITUNDSW-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.50
Rot. Bonds7

About N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide

N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide (PubChem CID 4675996) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide
PubChem CID4675996
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(CC2CCCO2)c1C
InChIInChI=1S/C21H26N2O4/c1-14-11-18(15(2)23(14)12-17-7-6-10-26-17)20(25)13-27-21-9-5-4-8-19(21)22-16(3)24/h4-5,8-9,11,17H,6-7,10,12-13H2,1-3H3,(H,22,24)
InChIKeyZPBCOFFITUNDSW-UHFFFAOYSA-N
XLogP3.50
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 974663
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-(4-Fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone
CID 2313814
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
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2424508
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2425711

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide (CID 4675996) is N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(CC2CCCO2)c1C.
What is the InChIKey of N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is ZPBCOFFITUNDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-11-18(15(2)23(14)12-17-7-6-10-26-17)20(25)13-27-21-9-5-4-8-19(21)22-16(3)24/h4-5,8-9,11,17H,6-7,10,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide?
N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 4675996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).