N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide

C18H18N2O3 — CID 113083442

IUPACN-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCN1C(=O)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C18H18N2O3/c1-11(2)16(21)19-7-8-20-17(22)14-9-12-5-3-4-6-13(12)10-15(14)18(20)23/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyVCYJTIJWZNMMIT-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide

N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide (PubChem CID 113083442) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide
PubChem CID113083442
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCN1C(=O)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C18H18N2O3/c1-11(2)16(21)19-7-8-20-17(22)14-9-12-5-3-4-6-13(12)10-15(14)18(20)23/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)
InChIKeyVCYJTIJWZNMMIT-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 113083485
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
2-[(2S)-2-hydroxypropyl]naphtho[2,3-f]isoindole-1,3-dione
CID 102159608
1-butan-2-yl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108874830
3-cyclohexyl-2-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 70084276
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]benzenesulfonamide
CID 113083500
1-(2,6-diethylphenyl)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108874868
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113082264
2-(3-methoxypropyl)-N-[2-(2-methylpropanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 32974762
4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(2S)-4-methyl-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]butanoic acid
CID 70045678
(2R)-2-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-4-(1,3-dioxobenzo[f]isoindol-2-yl)butanoic acid
CID 10345348

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide (CID 113083442) is N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCN1C(=O)c2cc3ccccc3cc2C1=O.
What is the InChIKey of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide?
The InChIKey is VCYJTIJWZNMMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(2)16(21)19-7-8-20-17(22)14-9-12-5-3-4-6-13(12)10-15(14)18(20)23/h3-6,9-11H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide?
N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide has a molecular weight of 310.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113083442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).