2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide

C19H26N2O5 — CID 55348961

IUPAC2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide
SMILESCOCCN(CCOC)C(=O)C(C(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O5/c1-13(2)16(19(24)20(9-11-25-3)10-12-26-4)21-17(22)14-7-5-6-8-15(14)18(21)23/h5-8,13,16H,9-12H2,1-4H3
InChIKeyIGXSTSGJOCKNTJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.43
Rot. Bonds9

About 2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide

2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide (PubChem CID 55348961) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide
PubChem CID55348961
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide
SMILESCOCCN(CCOC)C(=O)C(C(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O5/c1-13(2)16(19(24)20(9-11-25-3)10-12-26-4)21-17(22)14-7-5-6-8-15(14)18(21)23/h5-8,13,16H,9-12H2,1-4H3
InChIKeyIGXSTSGJOCKNTJ-UHFFFAOYSA-N
XLogP1.43
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethyl-4-oxohexan-3-yl)isoindole-1,3-dione
CID 70891240
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 15513937
sodium 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 19205516
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methoxybutanoic acid
CID 102042590
2-(4-methoxyphenyl)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22748067
2-(1,3-dioxoisoindol-2-yl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 55783917
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide
CID 15518686
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid
CID 774771
2-(4-methylphenoxy)ethyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22748040
[3-(1,3-dioxoisoindol-2-yl)-4-methyl-2-oxopentyl] methanesulfonate
CID 140522504
(2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide
CID 7297635
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea
CID 108889531

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide (CID 55348961) is 2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide is COCCN(CCOC)C(=O)C(C(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide?
The InChIKey is IGXSTSGJOCKNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-13(2)16(19(24)20(9-11-25-3)10-12-26-4)21-17(22)14-7-5-6-8-15(14)18(21)23/h5-8,13,16H,9-12H2,1-4H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide?
2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide has a molecular weight of 362.43 g/mol, XLogP of 1.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methoxyethyl)-3-methylbutanamide is sourced from PubChem (CID 55348961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).