N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide

C17H22N2O2 — CID 102684977

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(CCO)C3CCC3)cc2c1C
InChIInChI=1S/C17H22N2O2/c1-11-12(2)18-16-7-6-13(10-15(11)16)17(21)19(8-9-20)14-4-3-5-14/h6-7,10,14,18,20H,3-5,8-9H2,1-2H3
InChIKeyODABZARYVSNVCJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.77
Rot. Bonds4

About N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 102684977) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID102684977
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(CCO)C3CCC3)cc2c1C
InChIInChI=1S/C17H22N2O2/c1-11-12(2)18-16-7-6-13(10-15(11)16)17(21)19(8-9-20)14-4-3-5-14/h6-7,10,14,18,20H,3-5,8-9H2,1-2H3
InChIKeyODABZARYVSNVCJ-UHFFFAOYSA-N
XLogP2.77
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.77
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

N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 20939988
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 78840940
N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide
CID 63641936
N-cyclopropyl-2,3-dimethyl-N-(oxolan-3-ylmethyl)-1H-indole-5-carboxamide
CID 87011207
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-5-carboxamide
CID 63748789
N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide
CID 43582046
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide
CID 18164314
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 102684977) is N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)N(CCO)C3CCC3)cc2c1C.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is ODABZARYVSNVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-12(2)18-16-7-6-13(10-15(11)16)17(21)19(8-9-20)14-4-3-5-14/h6-7,10,14,18,20H,3-5,8-9H2,1-2H3.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 102684977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).