N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide

C20H23NO3 — CID 30798336

IUPACN-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C20H23NO3/c1-2-15-7-3-4-11-19(15)21-20(22)16-8-5-9-17(13-16)24-14-18-10-6-12-23-18/h3-5,7-9,11,13,18H,2,6,10,12,14H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyKMMITGWNYUNLBG-SFHVURJKSA-N
MW325.41 g/mol
LogP4.06
Rot. Bonds6

About N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 30798336) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID30798336
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C20H23NO3/c1-2-15-7-3-4-11-19(15)21-20(22)16-8-5-9-17(13-16)24-14-18-10-6-12-23-18/h3-5,7-9,11,13,18H,2,6,10,12,14H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyKMMITGWNYUNLBG-SFHVURJKSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992
3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 46518741
N-(2-ethylphenyl)-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 119100066
N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119618105
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 92824814
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 42427203
3-fluoro-4-methyl-5-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 78881332

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 30798336) is N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide is CCc1ccccc1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1.
What is the InChIKey of N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is KMMITGWNYUNLBG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-15-7-3-4-11-19(15)21-20(22)16-8-5-9-17(13-16)24-14-18-10-6-12-23-18/h3-5,7-9,11,13,18H,2,6,10,12,14H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 325.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 30798336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).