N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

C14H16N2O4 — CID 33101149

IUPACN-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCONC(=O)CCCN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C14H16N2O4/c1-9-5-6-10-11(8-9)14(19)16(13(10)18)7-3-4-12(17)15-20-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyRTBKVVUFBQNINS-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.05
Rot. Bonds5

About N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 33101149) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
PubChem CID33101149
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCONC(=O)CCCN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C14H16N2O4/c1-9-5-6-10-11(8-9)14(19)16(13(10)18)7-3-4-12(17)15-20-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyRTBKVVUFBQNINS-UHFFFAOYSA-N
XLogP1.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methoxybutanamide
CID 33101260
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
N-(3,4-dimethoxyphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27537877
N-[(3,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55577207
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 51192224
(1,3-dioxoisoindol-2-yl)methyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 46816811
N-[4-(methylcarbamoylamino)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55520752
3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide
CID 51074410
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
CID 46475036
N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27770580
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide
CID 51266037

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (CID 33101149) is N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is CONC(=O)CCCN1C(=O)c2ccc(C)cc2C1=O.
What is the InChIKey of N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is RTBKVVUFBQNINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9-5-6-10-11(8-9)14(19)16(13(10)18)7-3-4-12(17)15-20-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 276.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 33101149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).