N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide

C14H20N2O2 — CID 62360968

IUPACN-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NC2CCCCC2O)cc1
InChIInChI=1S/C14H20N2O2/c1-15-11-8-6-10(7-9-11)14(18)16-12-4-2-3-5-13(12)17/h6-9,12-13,15,17H,2-5H2,1H3,(H,16,18)
InChIKeyZKLCDRCGAAKNMR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.76
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide

N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide (PubChem CID 62360968) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
PubChem CID62360968
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NC2CCCCC2O)cc1
InChIInChI=1S/C14H20N2O2/c1-15-11-8-6-10(7-9-11)14(18)16-12-4-2-3-5-13(12)17/h6-9,12-13,15,17H,2-5H2,1H3,(H,16,18)
InChIKeyZKLCDRCGAAKNMR-UHFFFAOYSA-N
XLogP1.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927853
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
CID 101152324
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957212
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide (CID 62360968) is N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide is CNc1ccc(C(=O)NC2CCCCC2O)cc1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide?
The InChIKey is ZKLCDRCGAAKNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-11-8-6-10(7-9-11)14(18)16-12-4-2-3-5-13(12)17/h6-9,12-13,15,17H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide?
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide is sourced from PubChem (CID 62360968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).