3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

C17H24N2O3 — CID 110003462

IUPAC3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)N(C)CC2CCCCC2O)c1
InChIInChI=1S/C17H24N2O3/c1-18-16(21)12-7-5-8-13(10-12)17(22)19(2)11-14-6-3-4-9-15(14)20/h5,7-8,10,14-15,20H,3-4,6,9,11H2,1-2H3,(H,18,21)
InChIKeyABIUAJMGUKWAAK-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.67
Rot. Bonds4

About 3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 110003462) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID110003462
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)N(C)CC2CCCCC2O)c1
InChIInChI=1S/C17H24N2O3/c1-18-16(21)12-7-5-8-13(10-12)17(22)19(2)11-14-6-3-4-9-15(14)20/h5,7-8,10,14-15,20H,3-4,6,9,11H2,1-2H3,(H,18,21)
InChIKeyABIUAJMGUKWAAK-UHFFFAOYSA-N
XLogP1.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 110003976
4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
N-(cyclobutylmethyl)-N-methyl-3-(methylamino)benzamide
CID 115160920
N-[4-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 109400174
N-[(2-hydroxycyclopentyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 109399669
3-N-[2-(cycloheptylamino)ethyl]-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119621482
3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 97218721
3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012105
N-[(2-hydroxycyclohexyl)methyl]-4-[(E)-methoxyiminomethyl]-N-methylbenzamide
CID 110003396
4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
CID 110003945
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
N-[(2-hydroxycyclohexyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 110003398

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 110003462) is 3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)N(C)CC2CCCCC2O)c1.
What is the InChIKey of 3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is ABIUAJMGUKWAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18-16(21)12-7-5-8-13(10-12)17(22)19(2)11-14-6-3-4-9-15(14)20/h5,7-8,10,14-15,20H,3-4,6,9,11H2,1-2H3,(H,18,21).
What are the key properties of 3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 110003462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).