N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

C17H26N2O — CID 43274787

IUPACN-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCC(C)N(CC)C(=O)C1CC(C)Nc2ccccc21
InChIInChI=1S/C17H26N2O/c1-5-13(4)19(6-2)17(20)15-11-12(3)18-16-10-8-7-9-14(15)16/h7-10,12-13,15,18H,5-6,11H2,1-4H3
InChIKeyYNUNPPDXCFVHOU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.62
Rot. Bonds4

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

N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 43274787) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID43274787
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCC(C)N(CC)C(=O)C1CC(C)Nc2ccccc21
InChIInChI=1S/C17H26N2O/c1-5-13(4)19(6-2)17(20)15-11-12(3)18-16-10-8-7-9-14(15)16/h7-10,12-13,15,18H,5-6,11H2,1-4H3
InChIKeyYNUNPPDXCFVHOU-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43269802
N,2-dimethyl-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43271515
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24691290
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260889
N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565497
N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 62117471
3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid
CID 80566466
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 104967543
2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106329302
N-(1-methoxypropan-2-yl)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24693133
4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780808

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 43274787) is N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is CCC(C)N(CC)C(=O)C1CC(C)Nc2ccccc21.
What is the InChIKey of N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is YNUNPPDXCFVHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-13(4)19(6-2)17(20)15-11-12(3)18-16-10-8-7-9-14(15)16/h7-10,12-13,15,18H,5-6,11H2,1-4H3.
What are the key properties of N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 43274787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).