N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide

C17H23N3O2 — CID 39949319

IUPACN-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H23N3O2/c1-5-20(6-2)16(21)11-19(4)17(22)15-10-13-8-7-12(3)9-14(13)18-15/h7-10,18H,5-6,11H2,1-4H3
InChIKeyLLGAJNFNSVFMSG-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 39949319) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide
PubChem CID39949319
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H23N3O2/c1-5-20(6-2)16(21)11-19(4)17(22)15-10-13-8-7-12(3)9-14(13)18-15/h7-10,18H,5-6,11H2,1-4H3
InChIKeyLLGAJNFNSVFMSG-UHFFFAOYSA-N
XLogP2.42
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 119205851
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-6-methyl-1H-indole-2-carboxamide
CID 146125832
N,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-indole-2-carboxamide
CID 38303841
2-[methyl-(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 110835819
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-1H-indole-2-carboxamide
CID 134002686
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,6-dimethyl-1H-indole-2-carboxamide
CID 111695348
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 9374474
N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-6-methyl-1H-indole-2-carboxamide
CID 110000446
ethyl 2-[(5-amino-1H-indole-2-carbonyl)-methylamino]acetate
CID 63118284

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide (CID 39949319) is N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1cc2ccc(C)cc2[nH]1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is LLGAJNFNSVFMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-20(6-2)16(21)11-19(4)17(22)15-10-13-8-7-12(3)9-14(13)18-15/h7-10,18H,5-6,11H2,1-4H3.
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 39949319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).