2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide

C16H23NO3 — CID 100644821

IUPAC2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide
SMILESCCc1ccccc1C(=O)NC[C@@H](CO)[C@H]1CCOC1
InChIInChI=1S/C16H23NO3/c1-2-12-5-3-4-6-15(12)16(19)17-9-14(10-18)13-7-8-20-11-13/h3-6,13-14,18H,2,7-11H2,1H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyUMHWZEZGOKIAGC-KBPBESRZSA-N
MW277.36 g/mol
LogP1.62
Rot. Bonds6

About 2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide

2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide (PubChem CID 100644821) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide
PubChem CID100644821
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide
SMILESCCc1ccccc1C(=O)NC[C@@H](CO)[C@H]1CCOC1
InChIInChI=1S/C16H23NO3/c1-2-12-5-3-4-6-15(12)16(19)17-9-14(10-18)13-7-8-20-11-13/h3-6,13-14,18H,2,7-11H2,1H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyUMHWZEZGOKIAGC-KBPBESRZSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]-5-methyl-2-pyrrol-1-ylbenzamide
CID 100644638
N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide
CID 100644801
N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide
CID 103820546
2-methylsulfonyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642293
N-[3-hydroxy-2-(oxolan-3-yl)propyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 119037260
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide
CID 100644712
3-(4-bromothiophen-2-yl)-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]propanamide
CID 100644933
2-methoxy-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 94024269
3-(cyclopentylamino)-2-(oxolan-3-yl)propan-1-ol
CID 117237577
N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104548036
2-ethyl-N-(2-oxopropyl)benzamide
CID 22084530
N-(2-cyclopropyl-2-hydroxyethyl)-2-(propylamino)benzamide
CID 63297170

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide?
The IUPAC name of 2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide (CID 100644821) is 2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide.
What is the SMILES notation for 2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide?
The canonical SMILES for 2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide is CCc1ccccc1C(=O)NC[C@@H](CO)[C@H]1CCOC1.
What is the InChIKey of 2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide?
The InChIKey is UMHWZEZGOKIAGC-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-12-5-3-4-6-15(12)16(19)17-9-14(10-18)13-7-8-20-11-13/h3-6,13-14,18H,2,7-11H2,1H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of 2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide?
2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide has a molecular weight of 277.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]benzamide is sourced from PubChem (CID 100644821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).