N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide

C23H25N3O4 — CID 26722353

IUPACN-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1
InChIInChI=1S/C23H25N3O4/c1-15-6-11-18-19(13-15)23(30)26(22(18)29)12-4-5-20(27)25(3)14-16-7-9-17(10-8-16)21(28)24-2/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,28)
InChIKeyIFOQXQAOPDNQAD-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.39
Rot. Bonds7

About N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide (PubChem CID 26722353) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide
PubChem CID26722353
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1
InChIInChI=1S/C23H25N3O4/c1-15-6-11-18-19(13-15)23(30)26(22(18)29)12-4-5-20(27)25(3)14-16-7-9-17(10-8-16)21(28)24-2/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,28)
InChIKeyIFOQXQAOPDNQAD-UHFFFAOYSA-N
XLogP2.39
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
CID 8965301
N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51192488
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylbutanamide
CID 46539413
N-methyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 86978707
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide
CID 78803544
N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 30860521
N-methyl-4-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
CID 38748417
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
N-methyl-4-[[methyl-[(4-methylphenyl)carbamoyl]amino]methyl]benzamide
CID 51244601
N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 32919258
N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55917587

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide (CID 26722353) is N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide?
The InChIKey is IFOQXQAOPDNQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15-6-11-18-19(13-15)23(30)26(22(18)29)12-4-5-20(27)25(3)14-16-7-9-17(10-8-16)21(28)24-2/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,28).
What are the key properties of N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide is sourced from PubChem (CID 26722353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).