3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide

C17H24N2O3 — CID 97218721

IUPAC3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NC[C@@H](O)C2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-18-16(21)13-8-5-9-14(10-13)17(22)19-11-15(20)12-6-3-2-4-7-12/h5,8-10,12,15,20H,2-4,6-7,11H2,1H3,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeySJFYSLIQPYVHAS-OAHLLOKOSA-N
MW304.39 g/mol
LogP1.72
Rot. Bonds5

About 3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide

3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide (PubChem CID 97218721) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide
PubChem CID97218721
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NC[C@@H](O)C2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-18-16(21)13-8-5-9-14(10-13)17(22)19-11-15(20)12-6-3-2-4-7-12/h5,8-10,12,15,20H,2-4,6-7,11H2,1H3,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeySJFYSLIQPYVHAS-OAHLLOKOSA-N
XLogP1.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide with MolForge

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
3-N-[2-(cycloheptylamino)ethyl]-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119621482
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 111477761
N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 90498790
N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
CID 90498765
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294478
N-(2-cyclohexyl-2-hydroxyethyl)-4-methyl-3-nitrobenzamide
CID 90498788
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]thiophene-3-carboxamide
CID 95292148
N-(2-cyclopentyl-2-hydroxyethyl)furan-3-carboxamide
CID 111426324

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide (CID 97218721) is 3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)NC[C@@H](O)C2CCCCC2)c1.
What is the InChIKey of 3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is SJFYSLIQPYVHAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18-16(21)13-8-5-9-14(10-13)17(22)19-11-15(20)12-6-3-2-4-7-12/h5,8-10,12,15,20H,2-4,6-7,11H2,1H3,(H,18,21)(H,19,22)/t15-/m1/s1.
What are the key properties of 3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide?
3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 97218721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).