N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide

C18H24N2O4 — CID 84572770

IUPACN-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
SMILESCCCCNC(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H24N2O4/c1-4-5-10-19-15(21)11-24-12-18(2,3)20-16(22)13-8-6-7-9-14(13)17(20)23/h6-9H,4-5,10-12H2,1-3H3,(H,19,21)
InChIKeyQRAIEBKRZGPLQU-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.99
Rot. Bonds8

About N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide

N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide (PubChem CID 84572770) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
PubChem CID84572770
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
SMILESCCCCNC(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H24N2O4/c1-4-5-10-19-15(21)11-24-12-18(2,3)20-16(22)13-8-6-7-9-14(13)17(20)23/h6-9H,4-5,10-12H2,1-3H3,(H,19,21)
InChIKeyQRAIEBKRZGPLQU-UHFFFAOYSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.99
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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572834
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide
CID 84572767
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide
CID 84572826
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(2-ethoxyphenyl)acetamide
CID 84572610
N-(2,5-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572638
N-(2,4-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572606
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 84572829
1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate
CID 84572873
N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572626
2-(2-amino-2-methylpropoxy)-N-butylacetamide
CID 64537371
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-butyl-2-phenylmethoxyacetamide
CID 126717674

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The IUPAC name of N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide (CID 84572770) is N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide.
What is the SMILES notation for N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The canonical SMILES for N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide is CCCCNC(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The InChIKey is QRAIEBKRZGPLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-5-10-19-15(21)11-24-12-18(2,3)20-16(22)13-8-6-7-9-14(13)17(20)23/h6-9H,4-5,10-12H2,1-3H3,(H,19,21).
What are the key properties of N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide is sourced from PubChem (CID 84572770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).