N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide

C15H21NO2 — CID 7346632

IUPACN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)CCc1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C15H21NO2/c1-12(14-8-5-11-18-14)16-15(17)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)/t12-,14-/m1/s1
InChIKeyMSYYKCYKMWGJIK-TZMCWYRMSA-N
MW247.34 g/mol
LogP2.30
Rot. Bonds5

About N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide

N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide (PubChem CID 7346632) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
PubChem CID7346632
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)CCc1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C15H21NO2/c1-12(14-8-5-11-18-14)16-15(17)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)/t12-,14-/m1/s1
InChIKeyMSYYKCYKMWGJIK-TZMCWYRMSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 94025800
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 30902394
2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 61399786
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
N-[1-(oxolan-2-yl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979664
2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533746
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide (CID 7346632) is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide is C[C@@H](NC(=O)CCc1ccccc1)[C@H]1CCCO1.
What is the InChIKey of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide?
The InChIKey is MSYYKCYKMWGJIK-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(14-8-5-11-18-14)16-15(17)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)/t12-,14-/m1/s1.
What are the key properties of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide?
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 7346632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).