N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide

C16H20N2O3 — CID 61485569

IUPACN-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)C(=O)c2c(C)ccc(C)c21
InChIInChI=1S/C16H20N2O3/c1-4-5-8-17-12(19)9-18-14-11(3)7-6-10(2)13(14)15(20)16(18)21/h6-7H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyITHILEYJFDHMKD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.75
Rot. Bonds5

About N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide

N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61485569) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide
PubChem CID61485569
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide
SMILESCCCCNC(=O)CN1C(=O)C(=O)c2c(C)ccc(C)c21
InChIInChI=1S/C16H20N2O3/c1-4-5-8-17-12(19)9-18-14-11(3)7-6-10(2)13(14)15(20)16(18)21/h6-7H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyITHILEYJFDHMKD-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 61355309
2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-prop-2-enylacetamide
CID 61357112
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201607
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
1-(2-cyclopentyl-2-oxoethyl)-4,7-dimethylindole-2,3-dione
CID 104751336
2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
CID 61485417
N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61487044
2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide
CID 83206441
N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61485458
3-(4,7-dimethyl-2,3-dioxoindol-1-yl)-2,2-dimethylpropanoic acid
CID 79630344
N-butyl-2-(4-oxo-1-pyridinyl)acetamide
CID 116622191
N-butyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2704808

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide (CID 61485569) is N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide is CCCCNC(=O)CN1C(=O)C(=O)c2c(C)ccc(C)c21.
What is the InChIKey of N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is ITHILEYJFDHMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-5-8-17-12(19)9-18-14-11(3)7-6-10(2)13(14)15(20)16(18)21/h6-7H,4-5,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide?
N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61485569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).