N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide

C20H23NO4 — CID 91798105

IUPACN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide
SMILESCCN(C(=O)c1ccc(-c2ccccc2OC)cc1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C20H23NO4/c1-3-21(17-12-25-13-18(17)22)20(23)15-10-8-14(9-11-15)16-6-4-5-7-19(16)24-2/h4-11,17-18,22H,3,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyXYOVRMOXQNZNGT-ROUUACIJSA-N
MW341.41 g/mol
LogP2.58
Rot. Bonds5

About N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide

N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide (PubChem CID 91798105) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide
PubChem CID91798105
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide
SMILESCCN(C(=O)c1ccc(-c2ccccc2OC)cc1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C20H23NO4/c1-3-21(17-12-25-13-18(17)22)20(23)15-10-8-14(9-11-15)16-6-4-5-7-19(16)24-2/h4-11,17-18,22H,3,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyXYOVRMOXQNZNGT-ROUUACIJSA-N
XLogP2.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
CID 119073766
5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide
CID 133112296
4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66245647
4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide
CID 119071766
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
N-[[4-(2-methoxyphenyl)phenyl]methyl]propanamide
CID 66848573
4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 77081979
N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 156608790
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
6-[2-[[cyclopropyl-[4-(2-methoxyphenyl)benzoyl]amino]-dideuteriomethyl]phenoxy]hexanoic acid
CID 121270658
S-(9H-fluoren-9-ylmethyl) 4-(2-methoxyphenyl)benzenecarbothioate
CID 121297837
tert-butyl 4-(2-methoxyphenyl)benzoate
CID 134941633

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide?
The IUPAC name of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide (CID 91798105) is N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide.
What is the SMILES notation for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide?
The canonical SMILES for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide is CCN(C(=O)c1ccc(-c2ccccc2OC)cc1)[C@H]1COC[C@@H]1O.
What is the InChIKey of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide?
The InChIKey is XYOVRMOXQNZNGT-ROUUACIJSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-21(17-12-25-13-18(17)22)20(23)15-10-8-14(9-11-15)16-6-4-5-7-19(16)24-2/h4-11,17-18,22H,3,12-13H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide?
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 91798105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).