2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide

C19H26N2O4 — CID 110418001

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide
SMILESCOCCCCNC(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O4/c1-13(2)12-16(17(22)20-10-6-7-11-25-3)21-18(23)14-8-4-5-9-15(14)19(21)24/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3,(H,20,22)
InChIKeyKYGRURJSFDYWCA-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.24
Rot. Bonds9

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide (PubChem CID 110418001) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide
PubChem CID110418001
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide
SMILESCOCCCCNC(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O4/c1-13(2)12-16(17(22)20-10-6-7-11-25-3)21-18(23)14-8-4-5-9-15(14)19(21)24/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3,(H,20,22)
InChIKeyKYGRURJSFDYWCA-UHFFFAOYSA-N
XLogP2.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-4-methylpentanamide
CID 55783577
2-methoxyethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]benzoate
CID 19169319
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide
CID 86776780
2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxypropyl)-3-(4-nitrophenyl)propanamide
CID 3112988
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylpentanamide
CID 8714159
methyl (Z)-4-(1,3-dioxoisoindol-2-yl)-3-methoxy-6-methylhept-2-enoate
CID 67404353
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pentanamide
CID 112767822
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 9408537
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)-4-methylpentanamide
CID 7067644
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
CID 110417982
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2420991

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide (CID 110418001) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide is COCCCCNC(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide?
The InChIKey is KYGRURJSFDYWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(2)12-16(17(22)20-10-6-7-11-25-3)21-18(23)14-8-4-5-9-15(14)19(21)24/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3,(H,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide has a molecular weight of 346.43 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)-4-methylpentanamide is sourced from PubChem (CID 110418001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).