N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C17H24N2O — CID 66470763

IUPACN-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCN(C(=O)C1CCC2CCCCC2N1)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-19(14-8-3-2-4-9-14)17(20)16-12-11-13-7-5-6-10-15(13)18-16/h2-4,8-9,13,15-16,18H,5-7,10-12H2,1H3
InChIKeyIIUKQADZCBHBOX-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.96
Rot. Bonds2

About N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66470763) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66470763
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCN(C(=O)C1CCC2CCCCC2N1)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-19(14-8-3-2-4-9-14)17(20)16-12-11-13-7-5-6-10-15(13)18-16/h2-4,8-9,13,15-16,18H,5-7,10-12H2,1H3
InChIKeyIIUKQADZCBHBOX-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-pyridin-4-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 106935062
N-methyl-N-pyridin-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471611
N-(2-fluorophenyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66468787
N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280852
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-phenylethanone
CID 116585916
1-phenylethyl 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylate
CID 66469893
5-cyclopropyl-N-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 164646306
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470400
N-pyridin-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470963
N-(2,6-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470360
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469006

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66470763) is N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is CN(C(=O)C1CCC2CCCCC2N1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is IIUKQADZCBHBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19(14-8-3-2-4-9-14)17(20)16-12-11-13-7-5-6-10-15(13)18-16/h2-4,8-9,13,15-16,18H,5-7,10-12H2,1H3.
What are the key properties of N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66470763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).