N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide

C17H26N2O — CID 106025969

IUPACN-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCCCC(CCC)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C17H26N2O/c1-3-5-9-13(8-4-2)19-17(20)15-12-18-16-11-7-6-10-14(15)16/h6-7,10-11,13,15,18H,3-5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyRICVDHYYWNDILU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.67
Rot. Bonds7

About N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide

N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 106025969) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID106025969
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCCCCC(CCC)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C17H26N2O/c1-3-5-9-13(8-4-2)19-17(20)15-12-18-16-11-7-6-10-14(15)16/h6-7,10-11,13,15,18H,3-5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyRICVDHYYWNDILU-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide (CID 106025969) is N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide is CCCCC(CCC)NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is RICVDHYYWNDILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-9-13(8-4-2)19-17(20)15-12-18-16-11-7-6-10-14(15)16/h6-7,10-11,13,15,18H,3-5,8-9,12H2,1-2H3,(H,19,20).
What are the key properties of N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide?
N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 106025969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).