3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide

C18H22N2O2 — CID 51941960

IUPAC3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](O)CNC(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-7-9-14(10-8-13)17(21)12-19-18(22)15-5-4-6-16(11-15)20(2)3/h4-11,17,21H,12H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyJOVIDTBZHNJBEE-QGZVFWFLSA-N
MW298.39 g/mol
LogP2.52
Rot. Bonds5

About 3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide

3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide (PubChem CID 51941960) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
PubChem CID51941960
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@H](O)CNC(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-7-9-14(10-8-13)17(21)12-19-18(22)15-5-4-6-16(11-15)20(2)3/h4-11,17,21H,12H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyJOVIDTBZHNJBEE-QGZVFWFLSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide
CID 90581411
3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941970
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
3-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 112766095
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]naphthalene-2-carboxamide
CID 90581445
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-(2-cyanopropyl)-3-(dimethylamino)benzamide
CID 62652034
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(3-methylphenyl)acetamide
CID 90581416
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2,4,6-trimethylbenzamide
CID 90581428
N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
CID 78909705

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide (CID 51941960) is 3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide is Cc1ccc([C@H](O)CNC(=O)c2cccc(N(C)C)c2)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The InChIKey is JOVIDTBZHNJBEE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-7-9-14(10-8-13)17(21)12-19-18(22)15-5-4-6-16(11-15)20(2)3/h4-11,17,21H,12H2,1-3H3,(H,19,22)/t17-/m1/s1.
What are the key properties of 3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 51941960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).