2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide

C15H23NO4 — CID 78931101

IUPAC2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide
SMILESCOc1cc([C@H](C)O)ccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C15H23NO4/c1-9(2)16-15(18)11(4)20-13-7-6-12(10(3)17)8-14(13)19-5/h6-11,17H,1-5H3,(H,16,18)/t10-,11?/m0/s1
InChIKeyMAVPETPOYAKVNF-VUWPPUDQSA-N
MW281.35 g/mol
LogP2.04
Rot. Bonds6

About 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide

2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide (PubChem CID 78931101) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide
PubChem CID78931101
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide
SMILESCOc1cc([C@H](C)O)ccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C15H23NO4/c1-9(2)16-15(18)11(4)20-13-7-6-12(10(3)17)8-14(13)19-5/h6-11,17H,1-5H3,(H,16,18)/t10-,11?/m0/s1
InChIKeyMAVPETPOYAKVNF-VUWPPUDQSA-N
XLogP2.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78931098
N-ethyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propanamide
CID 43503787
2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43084736
N,N-diethyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propanamide
CID 78933708
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
CID 64662178
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butanoic acid
CID 78996903
(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
CID 63364627
methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
CID 63366880
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 78933810
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63364548
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide (CID 78931101) is 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide is COc1cc([C@H](C)O)ccc1OC(C)C(=O)NC(C)C.
What is the InChIKey of 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide?
The InChIKey is MAVPETPOYAKVNF-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H23NO4/c1-9(2)16-15(18)11(4)20-13-7-6-12(10(3)17)8-14(13)19-5/h6-11,17H,1-5H3,(H,16,18)/t10-,11?/m0/s1.
What are the key properties of 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide?
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide has a molecular weight of 281.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 78931101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).