3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide

C12H17NO3 — CID 78932628

IUPAC3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide
SMILESCC[C@H](O)c1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C12H17NO3/c1-2-11(14)9-3-5-10(6-4-9)16-8-7-12(13)15/h3-6,11,14H,2,7-8H2,1H3,(H2,13,15)/t11-/m0/s1
InChIKeyQQFQANVHINASCJ-NSHDSACASA-N
MW223.27 g/mol
LogP1.38
Rot. Bonds6

About 3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide

3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide (PubChem CID 78932628) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide
PubChem CID78932628
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide
SMILESCC[C@H](O)c1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C12H17NO3/c1-2-11(14)9-3-5-10(6-4-9)16-8-7-12(13)15/h3-6,11,14H,2,7-8H2,1H3,(H2,13,15)/t11-/m0/s1
InChIKeyQQFQANVHINASCJ-NSHDSACASA-N
XLogP1.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 78930528
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
3-[4-[1-(ethylamino)propyl]phenoxy]propanamide
CID 43280110
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
N-carbamoyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]acetamide
CID 78933968
6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
1-[4-(2-methylsulfanylethoxy)phenyl]propan-1-ol
CID 115900486
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-1-ol
CID 61071633
3-[4-[(1R)-1-hydroxypropyl]phenoxy]-2,2-dimethylpropanoic acid
CID 79624226
5-[4-[(1R)-1-hydroxypropyl]phenoxy]pentanenitrile
CID 78933493
2-(4-butoxyphenyl)pentanediamide
CID 20546483

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide?
The IUPAC name of 3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide (CID 78932628) is 3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide.
What is the SMILES notation for 3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide?
The canonical SMILES for 3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide is CC[C@H](O)c1ccc(OCCC(N)=O)cc1.
What is the InChIKey of 3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide?
The InChIKey is QQFQANVHINASCJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-11(14)9-3-5-10(6-4-9)16-8-7-12(13)15/h3-6,11,14H,2,7-8H2,1H3,(H2,13,15)/t11-/m0/s1.
What are the key properties of 3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide?
3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide has a molecular weight of 223.27 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide is sourced from PubChem (CID 78932628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).