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

C12H11N3O4 — CID 61146555

IUPACN-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
SMILESCc1cccc2c1N(CC(=O)NC(N)=O)C(=O)C2=O
InChIInChI=1S/C12H11N3O4/c1-6-3-2-4-7-9(6)15(11(18)10(7)17)5-8(16)14-12(13)19/h2-4H,5H2,1H3,(H3,13,14,16,19)
InChIKeyUVCFQIVMNWMFHD-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.28
Rot. Bonds2

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

N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide (PubChem CID 61146555) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
PubChem CID61146555
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
SMILESCc1cccc2c1N(CC(=O)NC(N)=O)C(=O)C2=O
InChIInChI=1S/C12H11N3O4/c1-6-3-2-4-7-9(6)15(11(18)10(7)17)5-8(16)14-12(13)19/h2-4H,5H2,1H3,(H3,13,14,16,19)
InChIKeyUVCFQIVMNWMFHD-UHFFFAOYSA-N
XLogP-0.28
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-1-(2-oxobutyl)indole-2,3-dione
CID 62039974
N-(3-methylbutyl)-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61487044
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875
methyl 3-(7-methyl-2,3-dioxoindol-1-yl)propanoate
CID 61146876
1-(6-hydroxyhexyl)-7-methylindole-2,3-dione
CID 107704083
N-carbamoyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355136
1-(3-aminopropyl)-7-methylindole-2,3-dione
CID 84622799
4-(7-methyl-2,3-dioxoindol-1-yl)butanoic acid
CID 61147180
2-(7-methyl-2,3-dioxoindol-1-yl)acetonitrile
CID 4730287
1-[2-(ethylamino)ethyl]-7-methylindole-2,3-dione
CID 61387891
1-(2-methoxyethyl)-7-methylindole-2,3-dione
CID 61146079
1-[2-(tert-butylamino)ethyl]-7-methylindole-2,3-dione
CID 61387866

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide (CID 61146555) is N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide is Cc1cccc2c1N(CC(=O)NC(N)=O)C(=O)C2=O.
What is the InChIKey of N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is UVCFQIVMNWMFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-6-3-2-4-7-9(6)15(11(18)10(7)17)5-8(16)14-12(13)19/h2-4H,5H2,1H3,(H3,13,14,16,19).
What are the key properties of N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide?
N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 261.24 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(7-methyl-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 61146555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).