N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C20H23NO4 — CID 2590932

IUPACN-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H23NO4/c1-2-23-19-8-4-3-7-18(19)21-20(22)15-9-11-16(12-10-15)25-14-17-6-5-13-24-17/h3-4,7-12,17H,2,5-6,13-14H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyASJIMUZUGVNNET-KRWDZBQOSA-N
MW341.41 g/mol
LogP3.90
Rot. Bonds7

About N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 2590932) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID2590932
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H23NO4/c1-2-23-19-8-4-3-7-18(19)21-20(22)15-9-11-16(12-10-15)25-14-17-6-5-13-24-17/h3-4,7-12,17H,2,5-6,13-14H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyASJIMUZUGVNNET-KRWDZBQOSA-N
XLogP3.90
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238
N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 42580253
2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222238
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
N-cyclopentyl-2-[[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzamide
CID 31287648
N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828489
N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4877901
N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55700831

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 2590932) is N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is CCOc1ccccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is ASJIMUZUGVNNET-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23NO4/c1-2-23-19-8-4-3-7-18(19)21-20(22)15-9-11-16(12-10-15)25-14-17-6-5-13-24-17/h3-4,7-12,17H,2,5-6,13-14H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 2590932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).