N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C27H32N2O2 — CID 20729941

IUPACN-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCCC1CCCC(C)C1NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C27H32N2O2/c1-4-20-9-7-8-18(2)26(20)29-27(30)21-12-14-23(15-13-21)31-17-22-16-19(3)28-25-11-6-5-10-24(22)25/h5-6,10-16,18,20,26H,4,7-9,17H2,1-3H3,(H,29,30)
InChIKeyPNIADURAJNKLSA-UHFFFAOYSA-N
MW416.57 g/mol
LogP6.07
Rot. Bonds6

About N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 20729941) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID20729941
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC NameN-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCCC1CCCC(C)C1NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
InChIInChI=1S/C27H32N2O2/c1-4-20-9-7-8-18(2)26(20)29-27(30)21-12-14-23(15-13-21)31-17-22-16-19(3)28-25-11-6-5-10-24(22)25/h5-6,10-16,18,20,26H,4,7-9,17H2,1-3H3,(H,29,30)
InChIKeyPNIADURAJNKLSA-UHFFFAOYSA-N
XLogP6.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729939
N-[2-methyl-6-(methylamino)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729957
[3-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl] 4-methylbenzoate
CID 20729910
N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729958
cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate
CID 58582396
N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729933
N-[2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylquinolin-4-yl)methoxy]naphthalene-2-carboxamide
CID 22258460
N-[(1S,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 87907442
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 20729941) is N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide is CCC1CCCC(C)C1NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1.
What is the InChIKey of N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is PNIADURAJNKLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-4-20-9-7-8-18(2)26(20)29-27(30)21-12-14-23(15-13-21)31-17-22-16-19(3)28-25-11-6-5-10-24(22)25/h5-6,10-16,18,20,26H,4,7-9,17H2,1-3H3,(H,29,30).
What are the key properties of N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 416.57 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 20729941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).