N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide

C21H25NO2 — CID 131910253

IUPACN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide
SMILESCC1(C)CC1(CNC(=O)Cc1ccc(CO)cc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-20(2)14-21(20,18-6-4-3-5-7-18)15-22-19(24)12-16-8-10-17(13-23)11-9-16/h3-11,23H,12-15H2,1-2H3,(H,22,24)
InChIKeyVXPSRZVLWJFYBB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.21
Rot. Bonds6

About N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide

N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide (PubChem CID 131910253) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide
PubChem CID131910253
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide
SMILESCC1(C)CC1(CNC(=O)Cc1ccc(CO)cc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-20(2)14-21(20,18-6-4-3-5-7-18)15-22-19(24)12-16-8-10-17(13-23)11-9-16/h3-11,23H,12-15H2,1-2H3,(H,22,24)
InChIKeyVXPSRZVLWJFYBB-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide (CID 131910253) is N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide is CC1(C)CC1(CNC(=O)Cc1ccc(CO)cc1)c1ccccc1.
What is the InChIKey of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide?
The InChIKey is VXPSRZVLWJFYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-20(2)14-21(20,18-6-4-3-5-7-18)15-22-19(24)12-16-8-10-17(13-23)11-9-16/h3-11,23H,12-15H2,1-2H3,(H,22,24).
What are the key properties of N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide?
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-2-[4-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 131910253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).