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

C23H25N3O3 — CID 9252593

IUPAC4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCc1ccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c(C)c1
InChIInChI=1S/C23H25N3O3/c1-15-5-12-21(16(2)13-15)24-22(27)14-29-20-10-8-19(9-11-20)23(28)25-26-17(3)6-7-18(26)4/h5-13H,14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyIMFUYHAUXLMHBT-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.12
Rot. Bonds6

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

4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide (PubChem CID 9252593) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide.

Molecular Properties

Compound Name4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide
PubChem CID9252593
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCc1ccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c(C)c1
InChIInChI=1S/C23H25N3O3/c1-15-5-12-21(16(2)13-15)24-22(27)14-29-20-10-8-19(9-11-20)23(28)25-26-17(3)6-7-18(26)4/h5-13H,14H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyIMFUYHAUXLMHBT-UHFFFAOYSA-N
XLogP4.12
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylpyrrol-1-yl)-4-[2-(3-methylanilino)-2-oxoethoxy]benzamide
CID 9252560
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 4026014
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
N-(2,4-dimethylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093188
N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793156
methyl 2-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695217
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855552
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 112977615
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide?
The IUPAC name of 4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide (CID 9252593) is 4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide.
What is the SMILES notation for 4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide?
The canonical SMILES for 4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide is Cc1ccc(NC(=O)COc2ccc(C(=O)Nn3c(C)ccc3C)cc2)c(C)c1.
What is the InChIKey of 4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide?
The InChIKey is IMFUYHAUXLMHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-5-12-21(16(2)13-15)24-22(27)14-29-20-10-8-19(9-11-20)23(28)25-26-17(3)6-7-18(26)4/h5-13H,14H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide?
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide is sourced from PubChem (CID 9252593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).