N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

C17H26N2O — CID 62117471

IUPACN-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCCC(CC)NC(=O)C1CC(C)Nc2ccccc21
InChIInChI=1S/C17H26N2O/c1-4-8-13(5-2)19-17(20)15-11-12(3)18-16-10-7-6-9-14(15)16/h6-7,9-10,12-13,15,18H,4-5,8,11H2,1-3H3,(H,19,20)
InChIKeyTWYDLOXLMZBDLZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.67
Rot. Bonds5

About N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 62117471) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID62117471
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCCC(CC)NC(=O)C1CC(C)Nc2ccccc21
InChIInChI=1S/C17H26N2O/c1-4-8-13(5-2)19-17(20)15-11-12(3)18-16-10-7-6-9-14(15)16/h6-7,9-10,12-13,15,18H,4-5,8,11H2,1-3H3,(H,19,20)
InChIKeyTWYDLOXLMZBDLZ-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 62117471) is N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is CCCC(CC)NC(=O)C1CC(C)Nc2ccccc21.
What is the InChIKey of N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is TWYDLOXLMZBDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-8-13(5-2)19-17(20)15-11-12(3)18-16-10-7-6-9-14(15)16/h6-7,9-10,12-13,15,18H,4-5,8,11H2,1-3H3,(H,19,20).
What are the key properties of N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 62117471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).