N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide

C19H28N2O — CID 3127093

IUPACN-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
SMILESCC1CC(C)(C)N(C(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C19H28N2O/c1-14-13-19(2,3)21(17-12-8-7-11-16(14)17)18(22)20-15-9-5-4-6-10-15/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,20,22)
InChIKeyGMASTSYOTFRXKZ-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.82
Rot. Bonds1

About N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide

N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide (PubChem CID 3127093) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
PubChem CID3127093
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
SMILESCC1CC(C)(C)N(C(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C19H28N2O/c1-14-13-19(2,3)21(17-12-8-7-11-16(14)17)18(22)20-15-9-5-4-6-10-15/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,20,22)
InChIKeyGMASTSYOTFRXKZ-UHFFFAOYSA-N
XLogP4.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methylurea-N-cyclobutylmethylmorphinan
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1-(Biphenyl-4-yl)-3-(4-(piperidin-1-yl)butyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide?
The IUPAC name of N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide (CID 3127093) is N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide is CC1CC(C)(C)N(C(=O)NC2CCCCC2)c2ccccc21.
What is the InChIKey of N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide?
The InChIKey is GMASTSYOTFRXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-13-19(2,3)21(17-12-8-7-11-16(14)17)18(22)20-15-9-5-4-6-10-15/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,20,22).
What are the key properties of N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide?
N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 3127093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).