N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide

C25H36N2O — CID 139302691

IUPACN,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CC1CCC(c2ccnc3ccccc23)CC1
InChIInChI=1S/C25H36N2O/c1-18(2)16-27(17-19(3)4)25(28)15-20-9-11-21(12-10-20)22-13-14-26-24-8-6-5-7-23(22)24/h5-8,13-14,18-21H,9-12,15-17H2,1-4H3
InChIKeyXRJCWSRCEJILCZ-UHFFFAOYSA-N
MW380.58 g/mol
LogP6.04
Rot. Bonds7

About N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide

N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide (PubChem CID 139302691) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide
PubChem CID139302691
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC NameN,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CC1CCC(c2ccnc3ccccc23)CC1
InChIInChI=1S/C25H36N2O/c1-18(2)16-27(17-19(3)4)25(28)15-20-9-11-21(12-10-20)22-13-14-26-24-8-6-5-7-23(22)24/h5-8,13-14,18-21H,9-12,15-17H2,1-4H3
InChIKeyXRJCWSRCEJILCZ-UHFFFAOYSA-N
XLogP6.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[2-(4-quinolin-4-ylcyclohexyl)acetyl]amino]butanoic acid
CID 138680331
methyl (2S)-4-oxo-2-propan-2-yl-5-(4-quinolin-4-ylcyclohexyl)pentanoate
CID 160623464
4-cyclopentylquinoline
CID 57273226
2-cyclopentyl-N,N-bis(2-methylpropyl)acetamide
CID 78797313
acetic acid;azane;phenacyl 2-(4-quinolin-4-ylcyclohexyl)acetate;4-[4-[(5-phenyl-1H-imidazol-2-yl)methyl]cyclohexyl]quinoline
CID 160505769
(E)-but-2-enedioic acid;N-(2-methylpropyl)-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 68575205
N,N-diethyl-4-quinolin-4-ylpiperidine-1-sulfonamide
CID 138029984
4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline
CID 142602713
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide
CID 166272446

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide (CID 139302691) is N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide is CC(C)CN(CC(C)C)C(=O)CC1CCC(c2ccnc3ccccc23)CC1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide?
The InChIKey is XRJCWSRCEJILCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-18(2)16-27(17-19(3)4)25(28)15-20-9-11-21(12-10-20)22-13-14-26-24-8-6-5-7-23(22)24/h5-8,13-14,18-21H,9-12,15-17H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide?
N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide has a molecular weight of 380.58 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide is sourced from PubChem (CID 139302691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).