N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide

C14H19NO2 — CID 134565640

IUPACN-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide
SMILESCC[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-13-12(8-9-17-13)10-15-14(16)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,15,16)/t12-,13-/m1/s1
InChIKeyWDIHKIFDLCUYQJ-CHWSQXEVSA-N
MW233.31 g/mol
LogP2.23
Rot. Bonds4

About N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide

N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide (PubChem CID 134565640) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide
PubChem CID134565640
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide
SMILESCC[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-13-12(8-9-17-13)10-15-14(16)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,15,16)/t12-,13-/m1/s1
InChIKeyWDIHKIFDLCUYQJ-CHWSQXEVSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(2-ethyloxolan-3-yl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 114106885
2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide
CID 114105712
2-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
CID 114105332
N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide
CID 70238920
2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate
CID 114106922
N-ethylbenzamide
CID 160772566
N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 14952151
4-(aminomethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]benzamide;hydrochloride
CID 119343856
N-(1,3-dioxolan-4-ylmethyl)benzamide
CID 69336579
N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine
CID 114105327
N-(cyclopropylmethyl)-2-[(2-ethyloxolan-3-yl)methylamino]acetamide
CID 114105561
4-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701781

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide (CID 134565640) is N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide is CC[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1.
What is the InChIKey of N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide?
The InChIKey is WDIHKIFDLCUYQJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-13-12(8-9-17-13)10-15-14(16)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,15,16)/t12-,13-/m1/s1.
What are the key properties of N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide?
N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 134565640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).