5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide

C12H16N2O2 — CID 70908053

IUPAC5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)N(C)C)N2
InChIInChI=1S/C12H16N2O2/c1-14(2)12(15)11-7-8-6-9(16-3)4-5-10(8)13-11/h4-6,11,13H,7H2,1-3H3
InChIKeyIIPOAEWFAUISGX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.12
Rot. Bonds2

About 5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide

5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 70908053) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID70908053
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)N(C)C)N2
InChIInChI=1S/C12H16N2O2/c1-14(2)12(15)11-7-8-6-9(16-3)4-5-10(8)13-11/h4-6,11,13H,7H2,1-3H3
InChIKeyIIPOAEWFAUISGX-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
CID 70503014
(2S)-5-bromo-N-methoxy-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146165201
1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 84739877
5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 174490296
5-fluoro-N-(4-methoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 71066395
N-(2,4-dimethoxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 110860613
2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112710978
N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76951044
ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 166139289
methyl (2R)-5-phenylmethoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 57219346
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide (CID 70908053) is 5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide is COc1ccc2c(c1)CC(C(=O)N(C)C)N2.
What is the InChIKey of 5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is IIPOAEWFAUISGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(2)12(15)11-7-8-6-9(16-3)4-5-10(8)13-11/h4-6,11,13H,7H2,1-3H3.
What are the key properties of 5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide?
5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 70908053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).