N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide

C21H25NO3 — CID 46985309

IUPACN-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCCO1)C(=O)c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C21H25NO3/c1-2-22(15-20-8-3-4-13-25-20)21(24)18-7-5-6-17(14-18)16-9-11-19(23)12-10-16/h5-7,9-12,14,20,23H,2-4,8,13,15H2,1H3
InChIKeyAYRIWSJAUPADFJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.09
Rot. Bonds5

About N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide

N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide (PubChem CID 46985309) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
PubChem CID46985309
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCCO1)C(=O)c1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C21H25NO3/c1-2-22(15-20-8-3-4-13-25-20)21(24)18-7-5-6-17(14-18)16-9-11-19(23)12-10-16/h5-7,9-12,14,20,23H,2-4,8,13,15H2,1H3
InChIKeyAYRIWSJAUPADFJ-UHFFFAOYSA-N
XLogP4.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]benzoate
CID 126432728
N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide
CID 125442918
3-(3-aminoisoquinolin-6-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 122565335
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61438969
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977
ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
CID 94489762
N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 79600203
N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 47829854
N-[2-(dimethylamino)ethyl]-3-(1-ethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125167209
N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
CID 125169183
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 61435069

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide (CID 46985309) is N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide is CCN(CC1CCCCO1)C(=O)c1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is AYRIWSJAUPADFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-22(15-20-8-3-4-13-25-20)21(24)18-7-5-6-17(14-18)16-9-11-19(23)12-10-16/h5-7,9-12,14,20,23H,2-4,8,13,15H2,1H3.
What are the key properties of N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide?
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 46985309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).