N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide

C15H20BrNO3 — CID 125136260

IUPACN-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide
SMILESO=C(CC[C@@H]1CCOC1)N[C@H](CO)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO3/c16-13-4-2-12(3-5-13)14(9-18)17-15(19)6-1-11-7-8-20-10-11/h2-5,11,14,18H,1,6-10H2,(H,17,19)/t11-,14-/m1/s1
InChIKeyHRNGSCFVOHBVBH-BXUZGUMPSA-N
MW342.23 g/mol
LogP2.42
Rot. Bonds6

About N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide

N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide (PubChem CID 125136260) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide
PubChem CID125136260
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide
SMILESO=C(CC[C@@H]1CCOC1)N[C@H](CO)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO3/c16-13-4-2-12(3-5-13)14(9-18)17-15(19)6-1-11-7-8-20-10-11/h2-5,11,14,18H,1,6-10H2,(H,17,19)/t11-,14-/m1/s1
InChIKeyHRNGSCFVOHBVBH-BXUZGUMPSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide
CID 99631822
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide
CID 126814716
(2R)-2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119367062
N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide
CID 119528776
2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 120580724
N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane
CID 168962930
N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
4-[[3-(oxolan-3-yl)propanoylamino]methyl]benzoic acid
CID 119353374
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
CID 75388123

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide (CID 125136260) is N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide is O=C(CC[C@@H]1CCOC1)N[C@H](CO)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide?
The InChIKey is HRNGSCFVOHBVBH-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-13-4-2-12(3-5-13)14(9-18)17-15(19)6-1-11-7-8-20-10-11/h2-5,11,14,18H,1,6-10H2,(H,17,19)/t11-,14-/m1/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide?
N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide has a molecular weight of 342.23 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)-2-hydroxyethyl]-3-[(3R)-oxolan-3-yl]propanamide is sourced from PubChem (CID 125136260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).