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

C19H24N2O3 — CID 4817287

IUPACN-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCCCn1c(C)cc(C(=O)COc2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C19H24N2O3/c1-5-10-21-13(2)11-18(14(21)3)19(23)12-24-17-8-6-16(7-9-17)20-15(4)22/h6-9,11H,5,10,12H2,1-4H3,(H,20,22)
InChIKeyYOSIDWRIHLOGAM-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.74
Rot. Bonds7

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

N-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 4817287) 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-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide
PubChem CID4817287
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCCCn1c(C)cc(C(=O)COc2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C19H24N2O3/c1-5-10-21-13(2)11-18(14(21)3)19(23)12-24-17-8-6-16(7-9-17)20-15(4)22/h6-9,11H,5,10,12H2,1-4H3,(H,20,22)
InChIKeyYOSIDWRIHLOGAM-UHFFFAOYSA-N
XLogP3.74
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide (CID 4817287) is N-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide is CCCn1c(C)cc(C(=O)COc2ccc(NC(C)=O)cc2)c1C.
What is the InChIKey of N-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is YOSIDWRIHLOGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-10-21-13(2)11-18(14(21)3)19(23)12-24-17-8-6-16(7-9-17)20-15(4)22/h6-9,11H,5,10,12H2,1-4H3,(H,20,22).
What are the key properties of N-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide?
N-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.74, 7 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-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 4817287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).