N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide

C21H25NO3 — CID 119061076

IUPACN-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide
SMILESCCOCC1(CNC(=O)c2ccc(-c3cccc(CO)c3)cc2)CC1
InChIInChI=1S/C21H25NO3/c1-2-25-15-21(10-11-21)14-22-20(24)18-8-6-17(7-9-18)19-5-3-4-16(12-19)13-23/h3-9,12,23H,2,10-11,13-15H2,1H3,(H,22,24)
InChIKeyOYCCUWNHYXEUDE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.39
Rot. Bonds8

About N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide

N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide (PubChem CID 119061076) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide
PubChem CID119061076
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide
SMILESCCOCC1(CNC(=O)c2ccc(-c3cccc(CO)c3)cc2)CC1
InChIInChI=1S/C21H25NO3/c1-2-25-15-21(10-11-21)14-22-20(24)18-8-6-17(7-9-18)19-5-3-4-16(12-19)13-23/h3-9,12,23H,2,10-11,13-15H2,1H3,(H,22,24)
InChIKeyOYCCUWNHYXEUDE-UHFFFAOYSA-N
XLogP3.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide (CID 119061076) is N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide is CCOCC1(CNC(=O)c2ccc(-c3cccc(CO)c3)cc2)CC1.
What is the InChIKey of N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide?
The InChIKey is OYCCUWNHYXEUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-25-15-21(10-11-21)14-22-20(24)18-8-6-17(7-9-18)19-5-3-4-16(12-19)13-23/h3-9,12,23H,2,10-11,13-15H2,1H3,(H,22,24).
What are the key properties of N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide?
N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethoxymethyl)cyclopropyl]methyl]-4-[3-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 119061076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).