N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide

C18H21NO2 — CID 129385502

IUPACN,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccccc1[C@@H](O)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-19(4-2)18(21)16-13-9-8-12-15(16)17(20)14-10-6-5-7-11-14/h5-13,17,20H,3-4H2,1-2H3/t17-/m0/s1
InChIKeyXKUSIMQTVIHZIK-KRWDZBQOSA-N
MW283.37 g/mol
LogP3.25
Rot. Bonds5

About N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide

N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide (PubChem CID 129385502) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide
PubChem CID129385502
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccccc1[C@@H](O)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-19(4-2)18(21)16-13-9-8-12-15(16)17(20)14-10-6-5-7-11-14/h5-13,17,20H,3-4H2,1-2H3/t17-/m0/s1
InChIKeyXKUSIMQTVIHZIK-KRWDZBQOSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-(1-hydroxy-2-iodoethyl)benzamide
CID 59893455
2-[hydroxy(phenyl)methyl]benzohydrazide
CID 54150972
3,5-dichloro-N,N-diethyl-4-[hydroxy(phenyl)methyl]benzamide
CID 10736703
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
CID 59369605
CID 59369605
N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide
CID 10245892
2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid
CID 61023494
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
potassium 2-(diethylcarbamoyl)benzoate
CID 135085837
2-(cyanomethylsulfanyl)-N,N-diethylbenzamide
CID 60629698

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide?
The IUPAC name of N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide (CID 129385502) is N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide is CCN(CC)C(=O)c1ccccc1[C@@H](O)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide?
The InChIKey is XKUSIMQTVIHZIK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-19(4-2)18(21)16-13-9-8-12-15(16)17(20)14-10-6-5-7-11-14/h5-13,17,20H,3-4H2,1-2H3/t17-/m0/s1.
What are the key properties of N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide?
N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide has a molecular weight of 283.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide is sourced from PubChem (CID 129385502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).