N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide

C22H23N3O3 — CID 9252560

IUPACN-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide
SMILESCc1cccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c1
InChIInChI=1S/C22H23N3O3/c1-15-5-4-6-19(13-15)23-21(26)14-28-20-11-9-18(10-12-20)22(27)24-25-16(2)7-8-17(25)3/h4-13H,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyJNJAHDYMVVDGRR-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.81
Rot. Bonds6

About N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide

N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide (PubChem CID 9252560) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide
PubChem CID9252560
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide
SMILESCc1cccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c1
InChIInChI=1S/C22H23N3O3/c1-15-5-4-6-19(13-15)23-21(26)14-28-20-11-9-18(10-12-20)22(27)24-25-16(2)7-8-17(25)3/h4-13H,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyJNJAHDYMVVDGRR-UHFFFAOYSA-N
XLogP3.81
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 9252593
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-(3-methylphenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126234591
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
N-(3-methylphenyl)-2-[4-(4-methylpiperazine-1-carbothioyl)phenoxy]acetamide
CID 126245971
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 63364236
N,4-dimethyl-N-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 23905666
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-(3,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793228
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide (CID 9252560) is N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide is Cc1cccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide?
The InChIKey is JNJAHDYMVVDGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-5-4-6-19(13-15)23-21(26)14-28-20-11-9-18(10-12-20)22(27)24-25-16(2)7-8-17(25)3/h4-13H,14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide?
N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 9252560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).