3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide

C18H21NO3 — CID 86785053

IUPAC3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(CCO)c2ccccc2)cc1O
InChIInChI=1S/C18H21NO3/c1-13-8-9-15(12-17(13)21)18(22)19(2)16(10-11-20)14-6-4-3-5-7-14/h3-9,12,16,20-21H,10-11H2,1-2H3
InChIKeyRARXLLVIUHXGRZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.90
Rot. Bonds5

About 3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide

3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide (PubChem CID 86785053) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide
PubChem CID86785053
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(CCO)c2ccccc2)cc1O
InChIInChI=1S/C18H21NO3/c1-13-8-9-15(12-17(13)21)18(22)19(2)16(10-11-20)14-6-4-3-5-7-14/h3-9,12,16,20-21H,10-11H2,1-2H3
InChIKeyRARXLLVIUHXGRZ-UHFFFAOYSA-N
XLogP2.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide?
The IUPAC name of 3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide (CID 86785053) is 3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide?
The canonical SMILES for 3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)C(CCO)c2ccccc2)cc1O.
What is the InChIKey of 3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide?
The InChIKey is RARXLLVIUHXGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-8-9-15(12-17(13)21)18(22)19(2)16(10-11-20)14-6-4-3-5-7-14/h3-9,12,16,20-21H,10-11H2,1-2H3.
What are the key properties of 3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide?
3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 86785053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).