4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

C25H28N4O3 — CID 78817571

IUPAC4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1
InChIInChI=1S/C25H28N4O3/c1-17-14-22(18(2)29(17)27-25(32)20-8-6-5-7-9-20)23(30)16-28(4)15-19-10-12-21(13-11-19)24(31)26-3/h5-14H,15-16H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyJTGRZJBDHPJHLA-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.16
Rot. Bonds8

About 4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 78817571) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID78817571
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1
InChIInChI=1S/C25H28N4O3/c1-17-14-22(18(2)29(17)27-25(32)20-8-6-5-7-9-20)23(30)16-28(4)15-19-10-12-21(13-11-19)24(31)26-3/h5-14H,15-16H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyJTGRZJBDHPJHLA-UHFFFAOYSA-N
XLogP3.16
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9123949
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CID 56527334
4-[[[2-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37214416
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CID 9124001
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
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CID 55868840
4-[[[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
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[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 46794771
4-[3-[2-[benzyl(methyl)amino]acetyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide
CID 40645844
N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
CID 9003185
N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125843
N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (CID 78817571) is 4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CC(=O)c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1.
What is the InChIKey of 4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is JTGRZJBDHPJHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-14-22(18(2)29(17)27-25(32)20-8-6-5-7-9-20)23(30)16-28(4)15-19-10-12-21(13-11-19)24(31)26-3/h5-14H,15-16H2,1-4H3,(H,26,31)(H,27,32).
What are the key properties of 4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 432.52 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 78817571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).