N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide

C15H23NO3 — CID 55190064

IUPACN-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1cccc([C@H](C)O)c1
InChIInChI=1S/C15H23NO3/c1-4-5-9-16-15(18)12(3)19-14-8-6-7-13(10-14)11(2)17/h6-8,10-12,17H,4-5,9H2,1-3H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyCZPIIIHUBLEBPF-PXYINDEMSA-N
MW265.35 g/mol
LogP2.42
Rot. Bonds7

About N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide

N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide (PubChem CID 55190064) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide
PubChem CID55190064
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1cccc([C@H](C)O)c1
InChIInChI=1S/C15H23NO3/c1-4-5-9-16-15(18)12(3)19-14-8-6-7-13(10-14)11(2)17/h6-8,10-12,17H,4-5,9H2,1-3H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyCZPIIIHUBLEBPF-PXYINDEMSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-hydroxyethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 43504220
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
N-tert-butyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78933960
N-carbamoyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63365371
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
2-[3-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 61398251
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide
CID 43278248
N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63364873
N-butyl-2-(4-iodophenoxy)propanamide
CID 60718400
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The IUPAC name of N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide (CID 55190064) is N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide.
What is the SMILES notation for N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The canonical SMILES for N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide is CCCCNC(=O)C(C)Oc1cccc([C@H](C)O)c1.
What is the InChIKey of N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The InChIKey is CZPIIIHUBLEBPF-PXYINDEMSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-9-16-15(18)12(3)19-14-8-6-7-13(10-14)11(2)17/h6-8,10-12,17H,4-5,9H2,1-3H3,(H,16,18)/t11-,12?/m0/s1.
What are the key properties of N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide has a molecular weight of 265.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide is sourced from PubChem (CID 55190064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).