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

C27H33N3O2 — CID 20729939

IUPACN-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3C(C)CCCC3N(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C27H33N3O2/c1-18-8-7-11-25(30(3)4)26(18)29-27(31)20-12-14-22(15-13-20)32-17-21-16-19(2)28-24-10-6-5-9-23(21)24/h5-6,9-10,12-16,18,25-26H,7-8,11,17H2,1-4H3,(H,29,31)
InChIKeyLBTGNIBNBVCTKC-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.97
Rot. Bonds6

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

N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 20729939) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID20729939
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3C(C)CCCC3N(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C27H33N3O2/c1-18-8-7-11-25(30(3)4)26(18)29-27(31)20-12-14-22(15-13-20)32-17-21-16-19(2)28-24-10-6-5-9-23(21)24/h5-6,9-10,12-16,18,25-26H,7-8,11,17H2,1-4H3,(H,29,31)
InChIKeyLBTGNIBNBVCTKC-UHFFFAOYSA-N
XLogP4.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729941
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
cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
CID 68820136
N-[(1S,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 87907442
N-[(1R,2R)-4-(dimethylamino)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 87907404
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 20729939) is N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3C(C)CCCC3N(C)C)cc2)c2ccccc2n1.
What is the InChIKey of N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is LBTGNIBNBVCTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-18-8-7-11-25(30(3)4)26(18)29-27(31)20-12-14-22(15-13-20)32-17-21-16-19(2)28-24-10-6-5-9-23(21)24/h5-6,9-10,12-16,18,25-26H,7-8,11,17H2,1-4H3,(H,29,31).
What are the key properties of N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 431.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 20729939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).