N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide

C13H14N2O2 — CID 115166394

IUPACN-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
SMILESCN(Cc1cn(C)c2ccccc12)C(=O)C=O
InChIInChI=1S/C13H14N2O2/c1-14-7-10(8-15(2)13(17)9-16)11-5-3-4-6-12(11)14/h3-7,9H,8H2,1-2H3
InChIKeyMDPQFDDCYIQNKX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.34
Rot. Bonds3

About N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide

N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide (PubChem CID 115166394) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
PubChem CID115166394
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
SMILESCN(Cc1cn(C)c2ccccc12)C(=O)C=O
InChIInChI=1S/C13H14N2O2/c1-14-7-10(8-15(2)13(17)9-16)11-5-3-4-6-12(11)14/h3-7,9H,8H2,1-2H3
InChIKeyMDPQFDDCYIQNKX-UHFFFAOYSA-N
XLogP1.34
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
CID 115234876
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
CID 134971218
2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
CID 115240773
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
3-[methyl-[(1-methylindol-3-yl)methyl]amino]propane-1-thiol
CID 115225013
3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-N-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-enamide
CID 66905357
methanamine;2-(1-methylindol-3-yl)acetaldehyde
CID 145482195
2-oxoethyl 2-(1-methylindol-3-yl)acetate
CID 134405663
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
CID 115135394
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide?
The IUPAC name of N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide (CID 115166394) is N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide.
What is the SMILES notation for N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide?
The canonical SMILES for N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide is CN(Cc1cn(C)c2ccccc12)C(=O)C=O.
What is the InChIKey of N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide?
The InChIKey is MDPQFDDCYIQNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-14-7-10(8-15(2)13(17)9-16)11-5-3-4-6-12(11)14/h3-7,9H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide?
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide has a molecular weight of 230.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide is sourced from PubChem (CID 115166394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).