N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide

C23H25N3O2 — CID 110655035

IUPACN-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C23H25N3O2/c1-15-5-11-21(12-6-15)26-16(2)13-22(17(26)3)23(28)14-24-19-7-9-20(10-8-19)25-18(4)27/h5-13,24H,14H2,1-4H3,(H,25,27)
InChIKeyXGTUJNJFJKMCPZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.66
Rot. Bonds6

About N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide

N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide (PubChem CID 110655035) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide
PubChem CID110655035
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C23H25N3O2/c1-15-5-11-21(12-6-15)26-16(2)13-22(17(26)3)23(28)14-24-19-7-9-20(10-8-19)25-18(4)27/h5-13,24H,14H2,1-4H3,(H,25,27)
InChIKeyXGTUJNJFJKMCPZ-UHFFFAOYSA-N
XLogP4.66
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 110654801
2-(4-chloroanilino)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 110654783
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-iodoethanone
CID 90316003
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propan-2-yloxyanilino)ethanone
CID 110654795
ethyl 4-[[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]amino]benzoate
CID 110654818
2-(3-acetylanilino)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 110654799
2-(3-acetylanilino)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 110654924
2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxo-N-phenylacetamide
CID 22515358
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(methylamino)ethanone
CID 53355375
3-[[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]amino]benzonitrile
CID 110654825
1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide (CID 110655035) is N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(NCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)cc1.
What is the InChIKey of N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide?
The InChIKey is XGTUJNJFJKMCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-5-11-21(12-6-15)26-16(2)13-22(17(26)3)23(28)14-24-19-7-9-20(10-8-19)25-18(4)27/h5-13,24H,14H2,1-4H3,(H,25,27).
What are the key properties of N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide?
N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]amino]phenyl]acetamide is sourced from PubChem (CID 110655035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).