2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide

C17H22N2O2 — CID 103888208

IUPAC2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NC3CCOC(C)C3)cc2c1C
InChIInChI=1S/C17H22N2O2/c1-10-8-14(6-7-21-10)19-17(20)13-4-5-16-15(9-13)11(2)12(3)18-16/h4-5,9-10,14,18H,6-8H2,1-3H3,(H,19,20)
InChIKeyOCAONGJPVRFXOD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.08
Rot. Bonds2

About 2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide

2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide (PubChem CID 103888208) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide
PubChem CID103888208
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NC3CCOC(C)C3)cc2c1C
InChIInChI=1S/C17H22N2O2/c1-10-8-14(6-7-21-10)19-17(20)13-4-5-16-15(9-13)11(2)12(3)18-16/h4-5,9-10,14,18H,6-8H2,1-3H3,(H,19,20)
InChIKeyOCAONGJPVRFXOD-UHFFFAOYSA-N
XLogP3.08
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103890717
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
N-(2-aminocyclopentyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 63251406
2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide
CID 103888185
3-bromo-5-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113461518
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103888209
2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
CID 114108164

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide (CID 103888208) is 2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NC3CCOC(C)C3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide?
The InChIKey is OCAONGJPVRFXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-8-14(6-7-21-10)19-17(20)13-4-5-16-15(9-13)11(2)12(3)18-16/h4-5,9-10,14,18H,6-8H2,1-3H3,(H,19,20).
What are the key properties of 2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide?
2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 103888208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).