N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C16H30N2O2 — CID 106188161

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C16H30N2O2/c1-15(2,16(3,4)20)18-14(19)13-10-9-11-7-5-6-8-12(11)17-13/h11-13,17,20H,5-10H2,1-4H3,(H,18,19)
InChIKeyBPNSFDLAFMFZMF-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.96
Rot. Bonds3

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 106188161) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID106188161
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C16H30N2O2/c1-15(2,16(3,4)20)18-14(19)13-10-9-11-7-5-6-8-12(11)17-13/h11-13,17,20H,5-10H2,1-4H3,(H,18,19)
InChIKeyBPNSFDLAFMFZMF-UHFFFAOYSA-N
XLogP1.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-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

(2R,4aR,8aR)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 58011217
(2S,4aS,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 10977514
3-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methylbutanoic acid
CID 66471212
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66469205
N-[2-(dimethylamino)-2-methylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470587
N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469551
1-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]-3,3-dimethylbutan-1-one
CID 157455031
N-(3-hydroxy-2,3-dimethylbutan-2-yl)azepane-2-carboxamide
CID 106188267
tert-butyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylate
CID 66469091
N-(3-methylcyclobutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 113467214
N-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471369
N-(2-hydroxy-4,4-dimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 107152829

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 106188161) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is CC(C)(O)C(C)(C)NC(=O)C1CCC2CCCCC2N1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is BPNSFDLAFMFZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2,16(3,4)20)18-14(19)13-10-9-11-7-5-6-8-12(11)17-13/h11-13,17,20H,5-10H2,1-4H3,(H,18,19).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 106188161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).