N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide

C17H23N3O2 — CID 48503245

IUPACN-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H23N3O2/c1-5-20(6-2)16(21)10-18-17(22)13-7-8-15-14(9-13)11(3)12(4)19-15/h7-9,19H,5-6,10H2,1-4H3,(H,18,22)
InChIKeyNOHHAVIKPKPFDA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 48503245) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID48503245
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C17H23N3O2/c1-5-20(6-2)16(21)10-18-17(22)13-7-8-15-14(9-13)11(3)12(4)19-15/h7-9,19H,5-6,10H2,1-4H3,(H,18,22)
InChIKeyNOHHAVIKPKPFDA-UHFFFAOYSA-N
XLogP2.38
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.38
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-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide
CID 43430184
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide
CID 18164314
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 34745053
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 61258712
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
2,3-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 103775042
N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 111461060

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 48503245) is N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide is CCN(CC)C(=O)CNC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is NOHHAVIKPKPFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-20(6-2)16(21)10-18-17(22)13-7-8-15-14(9-13)11(3)12(4)19-15/h7-9,19H,5-6,10H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 48503245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).