2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide

C23H27N3O5 — CID 55783577

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide
SMILESCOCCOc1ccc(CNC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C23H27N3O5/c1-15(2)12-19(26-22(28)17-6-4-5-7-18(17)23(26)29)21(27)25-14-16-8-9-20(24-13-16)31-11-10-30-3/h4-9,13,15,19H,10-12,14H2,1-3H3,(H,25,27)
InChIKeyICPIRVQQHSFJEQ-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.43
Rot. Bonds10

About 2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide

2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide (PubChem CID 55783577) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide
PubChem CID55783577
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide
SMILESCOCCOc1ccc(CNC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)cn1
InChIInChI=1S/C23H27N3O5/c1-15(2)12-19(26-22(28)17-6-4-5-7-18(17)23(26)29)21(27)25-14-16-8-9-20(24-13-16)31-11-10-30-3/h4-9,13,15,19H,10-12,14H2,1-3H3,(H,25,27)
InChIKeyICPIRVQQHSFJEQ-UHFFFAOYSA-N
XLogP2.43
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 55783917
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
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide
CID 86776780
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 33261852
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(5-methoxy-1,3-thiazol-2-yl)-4-methylpentanamide
CID 100753875
2-methoxyethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]benzoate
CID 19169319
2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 55783770
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 55749404
2-(2-cyanophenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55783471
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47042423

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide (CID 55783577) is 2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide is COCCOc1ccc(CNC(=O)C(CC(C)C)N2C(=O)c3ccccc3C2=O)cn1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide?
The InChIKey is ICPIRVQQHSFJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-15(2)12-19(26-22(28)17-6-4-5-7-18(17)23(26)29)21(27)25-14-16-8-9-20(24-13-16)31-11-10-30-3/h4-9,13,15,19H,10-12,14H2,1-3H3,(H,25,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide has a molecular weight of 425.49 g/mol, XLogP of 2.43, 10 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)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylpentanamide is sourced from PubChem (CID 55783577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).