N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide

C18H21NO3 — CID 125143767

IUPACN-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)C[C@@H](O)Cc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-19(13-16(20)11-14-7-4-3-5-8-14)18(21)15-9-6-10-17(12-15)22-2/h3-10,12,16,20H,11,13H2,1-2H3/t16-/m0/s1
InChIKeyWLYPXYKJRIKFAR-INIZCTEOSA-N
MW299.37 g/mol
LogP2.37
Rot. Bonds6

About N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide

N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide (PubChem CID 125143767) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
PubChem CID125143767
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)C[C@@H](O)Cc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-19(13-16(20)11-14-7-4-3-5-8-14)18(21)15-9-6-10-17(12-15)22-2/h3-10,12,16,20H,11,13H2,1-2H3/t16-/m0/s1
InChIKeyWLYPXYKJRIKFAR-INIZCTEOSA-N
XLogP2.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
CID 63753839
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 141033411
3-[[3-(4-methoxyphenyl)-2-methylpropyl]-methylcarbamoyl]benzoic acid
CID 120695866
(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111911976
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide
CID 56765275
(E,2S)-2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpent-3-en-1-amine;hydrochloride
CID 70008456
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide (CID 125143767) is N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)C[C@@H](O)Cc2ccccc2)c1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide?
The InChIKey is WLYPXYKJRIKFAR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21NO3/c1-19(13-16(20)11-14-7-4-3-5-8-14)18(21)15-9-6-10-17(12-15)22-2/h3-10,12,16,20H,11,13H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide?
N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 125143767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).