4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide

C18H21NO3 — CID 122200884

IUPAC4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(C(C)(O)Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-18(21,13-14-7-5-4-6-8-14)16-11-9-15(10-12-16)17(20)19(2)22-3/h4-12,21H,13H2,1-3H3
InChIKeyUZZJKVQLOWBPQB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.77
Rot. Bonds5

About 4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide

4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide (PubChem CID 122200884) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide
PubChem CID122200884
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(C(C)(O)Cc2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-18(21,13-14-7-5-4-6-8-14)16-11-9-15(10-12-16)17(20)19(2)22-3/h4-12,21H,13H2,1-3H3
InChIKeyUZZJKVQLOWBPQB-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide (CID 122200884) is 4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(C(C)(O)Cc2ccccc2)cc1.
What is the InChIKey of 4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide?
The InChIKey is UZZJKVQLOWBPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(21,13-14-7-5-4-6-8-14)16-11-9-15(10-12-16)17(20)19(2)22-3/h4-12,21H,13H2,1-3H3.
What are the key properties of 4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide?
4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-1-phenylpropan-2-yl)-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 122200884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).