4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide

C20H21N3O3 — CID 154843095

IUPAC4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC2c3ccccc3C(=O)N2C)cc1
InChIInChI=1S/C20H21N3O3/c1-13-7-9-14(10-8-13)19(25)22-12-18(24)21-11-17-15-5-3-4-6-16(15)20(26)23(17)2/h3-10,17H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHNEFXBINQDHZAX-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.67
Rot. Bonds5

About 4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide

4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 154843095) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID154843095
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC2c3ccccc3C(=O)N2C)cc1
InChIInChI=1S/C20H21N3O3/c1-13-7-9-14(10-8-13)19(25)22-12-18(24)21-11-17-15-5-3-4-6-16(15)20(26)23(17)2/h3-10,17H,11-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHNEFXBINQDHZAX-UHFFFAOYSA-N
XLogP1.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide (CID 154843095) is 4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide is Cc1ccc(C(=O)NCC(=O)NCC2c3ccccc3C(=O)N2C)cc1.
What is the InChIKey of 4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is HNEFXBINQDHZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-7-9-14(10-8-13)19(25)22-12-18(24)21-11-17-15-5-3-4-6-16(15)20(26)23(17)2/h3-10,17H,11-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide?
4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(2-methyl-3-oxo-1H-isoindol-1-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 154843095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).