(2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide

C17H26N2O — CID 61156300

IUPAC(2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCC(CC)CN(CC)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C17H26N2O/c1-4-13(5-2)12-19(6-3)17(20)16-11-14-9-7-8-10-15(14)18-16/h7-10,13,16,18H,4-6,11-12H2,1-3H3/t16-/m0/s1
InChIKeyADRPRMKYJRCMAE-INIZCTEOSA-N
MW274.41 g/mol
LogP3.31
Rot. Bonds6

About (2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61156300) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61156300
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCC(CC)CN(CC)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C17H26N2O/c1-4-13(5-2)12-19(6-3)17(20)16-11-14-9-7-8-10-15(14)18-16/h7-10,13,16,18H,4-6,11-12H2,1-3H3/t16-/m0/s1
InChIKeyADRPRMKYJRCMAE-INIZCTEOSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 61156300) is (2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide is CCC(CC)CN(CC)C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is ADRPRMKYJRCMAE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-13(5-2)12-19(6-3)17(20)16-11-14-9-7-8-10-15(14)18-16/h7-10,13,16,18H,4-6,11-12H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-(2-ethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61156300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).