2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide

C24H28N2O6 — CID 86776780

IUPAC2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide
SMILESCOc1cc(OC)c(CNC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C24H28N2O6/c1-14(2)10-19(26-23(28)16-8-6-7-9-17(16)24(26)29)22(27)25-13-18-20(31-4)11-15(30-3)12-21(18)32-5/h6-9,11-12,14,19H,10,13H2,1-5H3,(H,25,27)
InChIKeyHKLPGPZRAFKCMB-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.04
Rot. Bonds9

About 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide

2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide (PubChem CID 86776780) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide
PubChem CID86776780
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide
SMILESCOc1cc(OC)c(CNC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C24H28N2O6/c1-14(2)10-19(26-23(28)16-8-6-7-9-17(16)24(26)29)22(27)25-13-18-20(31-4)11-15(30-3)12-21(18)32-5/h6-9,11-12,14,19H,10,13H2,1-5H3,(H,25,27)
InChIKeyHKLPGPZRAFKCMB-UHFFFAOYSA-N
XLogP3.04
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 7605329
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylpentanamide
CID 8714159
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110418001
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide
CID 46487631
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 33261852
2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 55783577
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 55540035
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
CID 4070544
methyl (Z)-4-(1,3-dioxoisoindol-2-yl)-3-methoxy-6-methylhept-2-enoate
CID 67404353
3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119733857
(4,5-dimethoxy-2-methylphenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408557

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide (CID 86776780) is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide is COc1cc(OC)c(CNC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)c(OC)c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide?
The InChIKey is HKLPGPZRAFKCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-14(2)10-19(26-23(28)16-8-6-7-9-17(16)24(26)29)22(27)25-13-18-20(31-4)11-15(30-3)12-21(18)32-5/h6-9,11-12,14,19H,10,13H2,1-5H3,(H,25,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide?
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide has a molecular weight of 440.50 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 86776780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).