N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide

C16H20N2O3 — CID 61487044

IUPACN-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
SMILESCc1cccc2c1N(CC(=O)NCCC(C)C)C(=O)C2=O
InChIInChI=1S/C16H20N2O3/c1-10(2)7-8-17-13(19)9-18-14-11(3)5-4-6-12(14)15(20)16(18)21/h4-6,10H,7-9H2,1-3H3,(H,17,19)
InChIKeyRQYGJYSSAHEKSI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.69
Rot. Bonds5

About N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide

N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61487044) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
PubChem CID61487044
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
SMILESCc1cccc2c1N(CC(=O)NCCC(C)C)C(=O)C2=O
InChIInChI=1S/C16H20N2O3/c1-10(2)7-8-17-13(19)9-18-14-11(3)5-4-6-12(14)15(20)16(18)21/h4-6,10H,7-9H2,1-3H3,(H,17,19)
InChIKeyRQYGJYSSAHEKSI-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61146555
2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 61355309
7-methyl-1-(2-oxobutyl)indole-2,3-dione
CID 62039974
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875
N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide
CID 61485569
methyl 3-(7-methyl-2,3-dioxoindol-1-yl)propanoate
CID 61146876
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 7819706
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
CID 107704083
1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione
CID 61387891
1-[2-(tert-butylamino)ethyl]-7-methylindole-2,3-dione
CID 61387866

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide (CID 61487044) is N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide is Cc1cccc2c1N(CC(=O)NCCC(C)C)C(=O)C2=O.
What is the InChIKey of N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is RQYGJYSSAHEKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)7-8-17-13(19)9-18-14-11(3)5-4-6-12(14)15(20)16(18)21/h4-6,10H,7-9H2,1-3H3,(H,17,19).
What are the key properties of N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide?
N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61487044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).