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

C17H19NO2 — CID 2851354

IUPACN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(16(19)14-9-5-3-6-10-14)18(2)17(20)15-11-7-4-8-12-15/h3-13,16,19H,1-2H3
InChIKeyRLEBYZJBMZZXSZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.88
Rot. Bonds4

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

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide (PubChem CID 2851354) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
PubChem CID2851354
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(16(19)14-9-5-3-6-10-14)18(2)17(20)15-11-7-4-8-12-15/h3-13,16,19H,1-2H3
InChIKeyRLEBYZJBMZZXSZ-UHFFFAOYSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
The IUPAC name of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide (CID 2851354) is N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
The canonical SMILES for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide is CC(C(O)c1ccccc1)N(C)C(=O)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
The InChIKey is RLEBYZJBMZZXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(16(19)14-9-5-3-6-10-14)18(2)17(20)15-11-7-4-8-12-15/h3-13,16,19H,1-2H3.
What are the key properties of N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide?
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 2851354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).