N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

C16H24N2O2 — CID 106147953

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1CCNc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-16(2,8-10-19)11-18-15(20)13-7-9-17-14-6-4-3-5-12(13)14/h3-6,13,17,19H,7-11H2,1-2H3,(H,18,20)
InChIKeyKXRZAAKAIMWVMF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 106147953) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID106147953
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1CCNc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-16(2,8-10-19)11-18-15(20)13-7-9-17-14-6-4-3-5-12(13)14/h3-6,13,17,19H,7-11H2,1-2H3,(H,18,20)
InChIKeyKXRZAAKAIMWVMF-UHFFFAOYSA-N
XLogP2.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106328633
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106116712
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106047714
N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106147903
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106105003
N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106148133
tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 104761425
N-[2-(2-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 103006626
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106047340

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 106147953) is N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is CC(C)(CCO)CNC(=O)C1CCNc2ccccc21.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is KXRZAAKAIMWVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,8-10-19)11-18-15(20)13-7-9-17-14-6-4-3-5-12(13)14/h3-6,13,17,19H,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 106147953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).