3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide

C17H25NO2 — CID 94821729

IUPAC3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
SMILESC[C@H](CCNC(=O)CC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(15-6-3-2-4-7-15)11-12-18-17(19)10-9-16-8-5-13-20-16/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,18,19)/t14-,16+/m1/s1
InChIKeyIIAWPUMTUQIJQC-ZBFHGGJFSA-N
MW275.39 g/mol
LogP3.26
Rot. Bonds7

About 3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide

3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide (PubChem CID 94821729) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide.

Molecular Properties

Compound Name3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
PubChem CID94821729
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
SMILESC[C@H](CCNC(=O)CC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(15-6-3-2-4-7-15)11-12-18-17(19)10-9-16-8-5-13-20-16/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,18,19)/t14-,16+/m1/s1
InChIKeyIIAWPUMTUQIJQC-ZBFHGGJFSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 166301428
4-[3-(oxan-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201385
3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide
CID 97225833
5-oxo-5-(3-phenylbutylamino)pentanoic acid
CID 62987506
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide?
The IUPAC name of 3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide (CID 94821729) is 3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide.
What is the SMILES notation for 3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide?
The canonical SMILES for 3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide is C[C@H](CCNC(=O)CC[C@@H]1CCCO1)c1ccccc1.
What is the InChIKey of 3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide?
The InChIKey is IIAWPUMTUQIJQC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(15-6-3-2-4-7-15)11-12-18-17(19)10-9-16-8-5-13-20-16/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,18,19)/t14-,16+/m1/s1.
What are the key properties of 3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide?
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide has a molecular weight of 275.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide is sourced from PubChem (CID 94821729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).