N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide

C15H19FN2O3 — CID 99631822

IUPACN-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide
SMILESNC(=O)[C@H](NC(=O)CC[C@H]1CCOC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c16-12-4-2-11(3-5-12)14(15(17)20)18-13(19)6-1-10-7-8-21-9-10/h2-5,10,14H,1,6-9H2,(H2,17,20)(H,18,19)/t10-,14+/m0/s1
InChIKeyPUDVASNDYPIXRY-IINYFYTJSA-N
MW294.33 g/mol
LogP1.28
Rot. Bonds6

About N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide

N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide (PubChem CID 99631822) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide
PubChem CID99631822
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide
SMILESNC(=O)[C@H](NC(=O)CC[C@H]1CCOC1)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c16-12-4-2-11(3-5-12)14(15(17)20)18-13(19)6-1-10-7-8-21-9-10/h2-5,10,14H,1,6-9H2,(H2,17,20)(H,18,19)/t10-,14+/m0/s1
InChIKeyPUDVASNDYPIXRY-IINYFYTJSA-N
XLogP1.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide
CID 75508909
N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide
CID 125136260
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-3-[(3S)-oxan-3-yl]propanamide
CID 97220616
N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide
CID 119528776
(2R)-2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119367062
2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 120580724
3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167907373
1-(4-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986410
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide
CID 126814716
4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide
CID 47187587

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide?
The IUPAC name of N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide (CID 99631822) is N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide.
What is the SMILES notation for N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide?
The canonical SMILES for N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide is NC(=O)[C@H](NC(=O)CC[C@H]1CCOC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide?
The InChIKey is PUDVASNDYPIXRY-IINYFYTJSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-4-2-11(3-5-12)14(15(17)20)18-13(19)6-1-10-7-8-21-9-10/h2-5,10,14H,1,6-9H2,(H2,17,20)(H,18,19)/t10-,14+/m0/s1.
What are the key properties of N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide?
N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide has a molecular weight of 294.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide is sourced from PubChem (CID 99631822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).