N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide

C20H30N2O — CID 2874228

IUPACN-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide
SMILESCc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)NC1CCCCC1
InChIInChI=1S/C20H30N2O/c1-14-10-11-18-17(12-14)15(2)13-20(3,4)22(18)19(23)21-16-8-6-5-7-9-16/h10-12,15-16H,5-9,13H2,1-4H3,(H,21,23)
InChIKeyOCCKDIBWNOAAIN-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.13
Rot. Bonds1

About N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide

N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide (PubChem CID 2874228) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide
PubChem CID2874228
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide
SMILESCc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)NC1CCCCC1
InChIInChI=1S/C20H30N2O/c1-14-10-11-18-17(12-14)15(2)13-20(3,4)22(18)19(23)21-16-8-6-5-7-9-16/h10-12,15-16H,5-9,13H2,1-4H3,(H,21,23)
InChIKeyOCCKDIBWNOAAIN-UHFFFAOYSA-N
XLogP5.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide?
The IUPAC name of N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide (CID 2874228) is N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide is Cc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide?
The InChIKey is OCCKDIBWNOAAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-14-10-11-18-17(12-14)15(2)13-20(3,4)22(18)19(23)21-16-8-6-5-7-9-16/h10-12,15-16H,5-9,13H2,1-4H3,(H,21,23).
What are the key properties of N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide?
N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2,4,6-tetramethyl-3,4-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 2874228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).