ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide

C17H22N2O4 — CID 156711593

IUPACethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide
SMILESCC.CCCC(C(=O)NC=O)N1C(=O)c2cccc(C)c2C1=O
InChIInChI=1S/C15H16N2O4.C2H6/c1-3-5-11(13(19)16-8-18)17-14(20)10-7-4-6-9(2)12(10)15(17)21;1-2/h4,6-8,11H,3,5H2,1-2H3,(H,16,18,19);1-2H3
InChIKeyOHUNSZMCWOSRPY-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.06
Rot. Bonds5

About ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide

ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide (PubChem CID 156711593) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide.

Molecular Properties

Compound Nameethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide
PubChem CID156711593
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide
SMILESCC.CCCC(C(=O)NC=O)N1C(=O)c2cccc(C)c2C1=O
InChIInChI=1S/C15H16N2O4.C2H6/c1-3-5-11(13(19)16-8-18)17-14(20)10-7-4-6-9(2)12(10)15(17)21;1-2/h4,6-8,11H,3,5H2,1-2H3,(H,16,18,19);1-2H3
InChIKeyOHUNSZMCWOSRPY-UHFFFAOYSA-N
XLogP2.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(4-methyl-1,3-dioxoisoindol-2-yl)-5-oxopentanamide;1-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propane
CID 154659354
ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide
CID 167471306
N-formyl-N-methyl-2-[4-(methylamino)-1,3-dioxoisoindol-2-yl]pentanamide
CID 177003139
ethane;2-(2-oxohexan-3-yl)isoindole-1,3-dione
CID 143996703
2-(4,7-dimethyl-1,3-dioxoisoindol-2-yl)pentanethioamide
CID 103430390
N-formyl-4-(4-hydroxy-1,3-dioxoisoindol-2-yl)pentanamide
CID 170244907
2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
CID 166694732
ethyl (2S)-2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-6-oxohexanoyl]amino]propanoate
CID 11132496
4-amino-2-(4-butyl-1,3-dioxoisoindol-2-yl)-4-oxobutanoic acid
CID 22612887
ethyl (2S)-2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-6-oxohexanoyl]amino]butanoate
CID 10715305
2-[6-[(Z)-3-amino-2-[[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]iminomethyl]prop-2-enyl]-2-oxobenzo[cd]indol-1-yl]-N-formylpentanamide
CID 155208171
2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 171788986

Frequently Asked Questions

What is the IUPAC name of ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide?
The IUPAC name of ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide (CID 156711593) is ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide.
What is the SMILES notation for ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide?
The canonical SMILES for ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide is CC.CCCC(C(=O)NC=O)N1C(=O)c2cccc(C)c2C1=O.
What is the InChIKey of ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide?
The InChIKey is OHUNSZMCWOSRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4.C2H6/c1-3-5-11(13(19)16-8-18)17-14(20)10-7-4-6-9(2)12(10)15(17)21;1-2/h4,6-8,11H,3,5H2,1-2H3,(H,16,18,19);1-2H3.
What are the key properties of ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide?
ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide has a molecular weight of 318.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-formyl-2-(4-methyl-1,3-dioxoisoindol-2-yl)pentanamide is sourced from PubChem (CID 156711593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).