4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide

C22H28N2O2 — CID 91843146

IUPAC4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide
SMILESCN(CCO)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-24(15-16-25)19-13-11-18(12-14-19)22(26)23-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-4,7-8,11-14,20-21,25H,5-6,9-10,15-16H2,1H3,(H,23,26)/t20-,21+/m0/s1
InChIKeyPQLNFFNQLGSCNC-LEWJYISDSA-N
MW352.48 g/mol
LogP3.57
Rot. Bonds6

About 4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide

4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide (PubChem CID 91843146) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide
PubChem CID91843146
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide
SMILESCN(CCO)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C22H28N2O2/c1-24(15-16-25)19-13-11-18(12-14-19)22(26)23-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-4,7-8,11-14,20-21,25H,5-6,9-10,15-16H2,1H3,(H,23,26)/t20-,21+/m0/s1
InChIKeyPQLNFFNQLGSCNC-LEWJYISDSA-N
XLogP3.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide?
The IUPAC name of 4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide (CID 91843146) is 4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide is CN(CCO)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide?
The InChIKey is PQLNFFNQLGSCNC-LEWJYISDSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-24(15-16-25)19-13-11-18(12-14-19)22(26)23-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-4,7-8,11-14,20-21,25H,5-6,9-10,15-16H2,1H3,(H,23,26)/t20-,21+/m0/s1.
What are the key properties of 4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide?
4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)amino]-N-[(1R,2S)-2-phenylcyclohexyl]benzamide is sourced from PubChem (CID 91843146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).