4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide

C15H23NO3 — CID 55189164

IUPAC4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide
SMILESCC[C@H](O)c1ccccc1OCCCC(=O)N(C)C
InChIInChI=1S/C15H23NO3/c1-4-13(17)12-8-5-6-9-14(12)19-11-7-10-15(18)16(2)3/h5-6,8-9,13,17H,4,7,10-11H2,1-3H3/t13-/m0/s1
InChIKeyOTDZBPVDQKRDRO-ZDUSSCGKSA-N
MW265.35 g/mol
LogP2.38
Rot. Bonds7

About 4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide

4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide (PubChem CID 55189164) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide
PubChem CID55189164
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide
SMILESCC[C@H](O)c1ccccc1OCCCC(=O)N(C)C
InChIInChI=1S/C15H23NO3/c1-4-13(17)12-8-5-6-9-14(12)19-11-7-10-15(18)16(2)3/h5-6,8-9,13,17H,4,7,10-11H2,1-3H3/t13-/m0/s1
InChIKeyOTDZBPVDQKRDRO-ZDUSSCGKSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 54879106
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
CID 65098384
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
CID 78996550
4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
CID 95971990
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide?
The IUPAC name of 4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide (CID 55189164) is 4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide is CC[C@H](O)c1ccccc1OCCCC(=O)N(C)C.
What is the InChIKey of 4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide?
The InChIKey is OTDZBPVDQKRDRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-13(17)12-8-5-6-9-14(12)19-11-7-10-15(18)16(2)3/h5-6,8-9,13,17H,4,7,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide?
4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide has a molecular weight of 265.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S)-1-hydroxypropyl]phenoxy]-N,N-dimethylbutanamide is sourced from PubChem (CID 55189164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).