(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide

C15H21NO2 — CID 1122236

IUPAC(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)10-15(17)16-11-14-8-5-9-18-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)/t12-,14+/m1/s1
InChIKeyQJWRRTGGLJRYAZ-OCCSQVGLSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds5

About (3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide

(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide (PubChem CID 1122236) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
PubChem CID1122236
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)10-15(17)16-11-14-8-5-9-18-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)/t12-,14+/m1/s1
InChIKeyQJWRRTGGLJRYAZ-OCCSQVGLSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 129432264
N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide
CID 124736028
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
CID 16523743
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide?
The IUPAC name of (3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide (CID 1122236) is (3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide is C[C@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1.
What is the InChIKey of (3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide?
The InChIKey is QJWRRTGGLJRYAZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)10-15(17)16-11-14-8-5-9-18-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)/t12-,14+/m1/s1.
What are the key properties of (3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide?
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide has a molecular weight of 247.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide is sourced from PubChem (CID 1122236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).