N'-(1H-indol-3-ylmethyl)-N'-methyloxamide

C12H13N3O2 — CID 115191974

IUPACN'-(1H-indol-3-ylmethyl)-N'-methyloxamide
SMILESCN(Cc1c[nH]c2ccccc12)C(=O)C(N)=O
InChIInChI=1S/C12H13N3O2/c1-15(12(17)11(13)16)7-8-6-14-10-5-3-2-4-9(8)10/h2-6,14H,7H2,1H3,(H2,13,16)
InChIKeyUQQLBXWYZGXGMN-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.61
Rot. Bonds2

About N'-(1H-indol-3-ylmethyl)-N'-methyloxamide

N'-(1H-indol-3-ylmethyl)-N'-methyloxamide (PubChem CID 115191974) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N'-(1H-indol-3-ylmethyl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-(1H-indol-3-ylmethyl)-N'-methyloxamide
PubChem CID115191974
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN'-(1H-indol-3-ylmethyl)-N'-methyloxamide
SMILESCN(Cc1c[nH]c2ccccc12)C(=O)C(N)=O
InChIInChI=1S/C12H13N3O2/c1-15(12(17)11(13)16)7-8-6-14-10-5-3-2-4-9(8)10/h2-6,14H,7H2,1H3,(H2,13,16)
InChIKeyUQQLBXWYZGXGMN-UHFFFAOYSA-N
XLogP0.61
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[1H-indol-3-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142476
2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
CID 115259992
1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide
CID 115189880
3-tert-butyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749012
5-[1H-indol-3-ylmethyl(methyl)amino]pentanoic acid
CID 115219091
N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 110733002
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide
CID 110733008
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indol-3-ylmethyl)-N'-methyloxamide?
The IUPAC name of N'-(1H-indol-3-ylmethyl)-N'-methyloxamide (CID 115191974) is N'-(1H-indol-3-ylmethyl)-N'-methyloxamide.
What is the SMILES notation for N'-(1H-indol-3-ylmethyl)-N'-methyloxamide?
The canonical SMILES for N'-(1H-indol-3-ylmethyl)-N'-methyloxamide is CN(Cc1c[nH]c2ccccc12)C(=O)C(N)=O.
What is the InChIKey of N'-(1H-indol-3-ylmethyl)-N'-methyloxamide?
The InChIKey is UQQLBXWYZGXGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15(12(17)11(13)16)7-8-6-14-10-5-3-2-4-9(8)10/h2-6,14H,7H2,1H3,(H2,13,16).
What are the key properties of N'-(1H-indol-3-ylmethyl)-N'-methyloxamide?
N'-(1H-indol-3-ylmethyl)-N'-methyloxamide has a molecular weight of 231.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indol-3-ylmethyl)-N'-methyloxamide is sourced from PubChem (CID 115191974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).