N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide

C16H19N3O4 — CID 177003139

IUPACN-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide
SMILESCCCC(C(=O)N(C)C=O)N1C(=O)c2cccc(NC)c2C1=O
InChIInChI=1S/C16H19N3O4/c1-4-6-12(15(22)18(3)9-20)19-14(21)10-7-5-8-11(17-2)13(10)16(19)23/h5,7-9,12,17H,4,6H2,1-3H3
InChIKeyUMDQJUWGDGKCBP-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.11
Rot. Bonds6

About N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide

N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide (PubChem CID 177003139) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide.

Molecular Properties

Compound NameN-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide
PubChem CID177003139
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide
SMILESCCCC(C(=O)N(C)C=O)N1C(=O)c2cccc(NC)c2C1=O
InChIInChI=1S/C16H19N3O4/c1-4-6-12(15(22)18(3)9-20)19-14(21)10-7-5-8-11(17-2)13(10)16(19)23/h5,7-9,12,17H,4,6H2,1-3H3
InChIKeyUMDQJUWGDGKCBP-UHFFFAOYSA-N
XLogP1.11
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide
CID 156711593
2-(1-methoxybutan-2-yl)-4-(methylamino)isoindole-1,3-dione
CID 143507804
2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 155484544
4-(methylamino)-2-pentylisoindole-1,3-dione
CID 117006093
ethane;4-[4-(ethylamino)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
CID 171627716
ethane;2-(2-oxohexan-3-yl)isoindole-1,3-dione
CID 143996703
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-quinolin-8-ylpentanamide
CID 102253770
(2S)-2-[6-(2-hydroxyethylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]pentanoic acid
CID 11653317
2-[1,3-dioxo-4-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethylamino]isoindol-2-yl]pentanal
CID 142612079
4-(4-hydroxy-1,3-dioxoisoindol-2-yl)-N-methyl-5-oxopentanamide
CID 155715420
methyl 3-(3-ethoxy-4-methoxyphenyl)-3-[4-(methylamino)-1,3-dioxoisoindol-2-yl]propanoate
CID 151632184
N-[2-[1-(3-ethoxy-4-methoxyphenyl)-3-[formyl(hydroxy)amino]propyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 22387259

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide?
The IUPAC name of N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide (CID 177003139) is N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide.
What is the SMILES notation for N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide?
The canonical SMILES for N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide is CCCC(C(=O)N(C)C=O)N1C(=O)c2cccc(NC)c2C1=O.
What is the InChIKey of N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide?
The InChIKey is UMDQJUWGDGKCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-4-6-12(15(22)18(3)9-20)19-14(21)10-7-5-8-11(17-2)13(10)16(19)23/h5,7-9,12,17H,4,6H2,1-3H3.
What are the key properties of N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide?
N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide has a molecular weight of 317.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide is sourced from PubChem (CID 177003139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).