3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide

C17H26N2O — CID 78889309

IUPAC3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide
SMILESCC(C)CCC(C)NC(=O)N1CC(C)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-12(2)9-10-14(4)18-17(20)19-11-13(3)15-7-5-6-8-16(15)19/h5-8,12-14H,9-11H2,1-4H3,(H,18,20)
InChIKeyBDPRPUCEKDUCMS-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.14
Rot. Bonds4

About 3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide

3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide (PubChem CID 78889309) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide
PubChem CID78889309
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide
SMILESCC(C)CCC(C)NC(=O)N1CC(C)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-12(2)9-10-14(4)18-17(20)19-11-13(3)15-7-5-6-8-16(15)19/h5-8,12-14H,9-11H2,1-4H3,(H,18,20)
InChIKeyBDPRPUCEKDUCMS-UHFFFAOYSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide (CID 78889309) is 3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide is CC(C)CCC(C)NC(=O)N1CC(C)c2ccccc21.
What is the InChIKey of 3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is BDPRPUCEKDUCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)9-10-14(4)18-17(20)19-11-13(3)15-7-5-6-8-16(15)19/h5-8,12-14H,9-11H2,1-4H3,(H,18,20).
What are the key properties of 3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide?
3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 78889309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).