2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide

C27H27N3O4 — CID 46487631

IUPAC2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide
SMILESCC(C)CC(C(=O)NCc1cccc(OCc2ccccn2)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H27N3O4/c1-18(2)14-24(30-26(32)22-11-3-4-12-23(22)27(30)33)25(31)29-16-19-8-7-10-21(15-19)34-17-20-9-5-6-13-28-20/h3-13,15,18,24H,14,16-17H2,1-2H3,(H,29,31)
InChIKeyIYDPHIYBNXPDFZ-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.99
Rot. Bonds9

About 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide

2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide (PubChem CID 46487631) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide
PubChem CID46487631
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide
SMILESCC(C)CC(C(=O)NCc1cccc(OCc2ccccn2)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H27N3O4/c1-18(2)14-24(30-26(32)22-11-3-4-12-23(22)27(30)33)25(31)29-16-19-8-7-10-21(15-19)34-17-20-9-5-6-13-28-20/h3-13,15,18,24H,14,16-17H2,1-2H3,(H,29,31)
InChIKeyIYDPHIYBNXPDFZ-UHFFFAOYSA-N
XLogP3.99
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide
CID 86776780
2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 55783577
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 55940395
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1-pyridin-2-ylethyl)pentanamide
CID 112758996
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55712318
2-methyl-N-[4-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylcarbamoylamino]phenyl]propanamide
CID 55743101
2-(4-chlorophenoxy)-2-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propanamide
CID 55714646
1,2-dimethyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 110893221
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110418001
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide (CID 46487631) is 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide is CC(C)CC(C(=O)NCc1cccc(OCc2ccccn2)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide?
The InChIKey is IYDPHIYBNXPDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-18(2)14-24(30-26(32)22-11-3-4-12-23(22)27(30)33)25(31)29-16-19-8-7-10-21(15-19)34-17-20-9-5-6-13-28-20/h3-13,15,18,24H,14,16-17H2,1-2H3,(H,29,31).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide?
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide has a molecular weight of 457.53 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 46487631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).