(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C14H20N2O — CID 61148251

IUPAC(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCCCN(C)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H20N2O/c1-3-4-9-16(2)14(17)13-10-11-7-5-6-8-12(11)15-13/h5-8,13,15H,3-4,9-10H2,1-2H3/t13-/m0/s1
InChIKeyGXVYFEIJEFSGOC-ZDUSSCGKSA-N
MW232.33 g/mol
LogP2.28
Rot. Bonds4

About (2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61148251) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61148251
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCCCCN(C)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H20N2O/c1-3-4-9-16(2)14(17)13-10-11-7-5-6-8-12(11)15-13/h5-8,13,15H,3-4,9-10H2,1-2H3/t13-/m0/s1
InChIKeyGXVYFEIJEFSGOC-ZDUSSCGKSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 61148251) is (2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CCCCN(C)C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is GXVYFEIJEFSGOC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-4-9-16(2)14(17)13-10-11-7-5-6-8-12(11)15-13/h5-8,13,15H,3-4,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61148251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).