N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide

C20H24N2O2 — CID 90535391

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCC(O)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-22(2)18-12-8-15(9-13-18)19(23)21-14-20(24,17-10-11-17)16-6-4-3-5-7-16/h3-9,12-13,17,24H,10-11,14H2,1-2H3,(H,21,23)
InChIKeyPDYPXAHHCQNAAD-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.78
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide (PubChem CID 90535391) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide
PubChem CID90535391
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCC(O)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-22(2)18-12-8-15(9-13-18)19(23)21-14-20(24,17-10-11-17)16-6-4-3-5-7-16/h3-9,12-13,17,24H,10-11,14H2,1-2H3,(H,21,23)
InChIKeyPDYPXAHHCQNAAD-UHFFFAOYSA-N
XLogP2.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide (CID 90535391) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCC(O)(c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide?
The InChIKey is PDYPXAHHCQNAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-22(2)18-12-8-15(9-13-18)19(23)21-14-20(24,17-10-11-17)16-6-4-3-5-7-16/h3-9,12-13,17,24H,10-11,14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide has a molecular weight of 324.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 90535391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).