N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide

C12H14N2O3 — CID 23003326

IUPACN,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(C)OC)cc2c1
InChIInChI=1S/C12H14N2O3/c1-14(17-3)12(15)11-7-8-6-9(16-2)4-5-10(8)13-11/h4-7,13H,1-3H3
InChIKeyQYDHGYNKZKCYOQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.81
Rot. Bonds3

About N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide

N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 23003326) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID23003326
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(C)OC)cc2c1
InChIInChI=1S/C12H14N2O3/c1-14(17-3)12(15)11-7-8-6-9(16-2)4-5-10(8)13-11/h4-7,13H,1-3H3
InChIKeyQYDHGYNKZKCYOQ-UHFFFAOYSA-N
XLogP1.81
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride
CID 70216272
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
CID 123205970
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 139083916
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90652025
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90649915
5-methoxy-N-[2-[methyl-[(6-oxo-1H-pyridin-2-yl)methyl]amino]ethyl]-N-(2-oxoethyl)-1H-indole-2-carboxamide
CID 145164401
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269

Frequently Asked Questions

What is the IUPAC name of N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide (CID 23003326) is N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N(C)OC)cc2c1.
What is the InChIKey of N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is QYDHGYNKZKCYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14(17-3)12(15)11-7-8-6-9(16-2)4-5-10(8)13-11/h4-7,13H,1-3H3.
What are the key properties of N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide?
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 23003326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).