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

C15H23NO3 — CID 63364873

IUPACN-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1ccccc1[C@@H](C)O
InChIInChI=1S/C15H23NO3/c1-4-5-10-16-15(18)12(3)19-14-9-7-6-8-13(14)11(2)17/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,16,18)/t11-,12?/m1/s1
InChIKeyMNGUZWRZCRNLHI-JHJMLUEUSA-N
MW265.35 g/mol
LogP2.42
Rot. Bonds7

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

N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide (PubChem CID 63364873) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
PubChem CID63364873
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1ccccc1[C@@H](C)O
InChIInChI=1S/C15H23NO3/c1-4-5-10-16-15(18)12(3)19-14-9-7-6-8-13(14)11(2)17/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,16,18)/t11-,12?/m1/s1
InChIKeyMNGUZWRZCRNLHI-JHJMLUEUSA-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

N-ethyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 55189875
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide
CID 78931758
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 43503502
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate
CID 78931073
2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 43113670
2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 80722346
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
2-[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentylpropanamide
CID 102948921
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)propanamide
CID 63365164
2-[2-[1-(ethylamino)propyl]phenoxy]-N-propylpropanamide
CID 43279107

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide?
The IUPAC name of N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide (CID 63364873) is N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide.
What is the SMILES notation for N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide?
The canonical SMILES for N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide is CCCCNC(=O)C(C)Oc1ccccc1[C@@H](C)O.
What is the InChIKey of N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide?
The InChIKey is MNGUZWRZCRNLHI-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-10-16-15(18)12(3)19-14-9-7-6-8-13(14)11(2)17/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,16,18)/t11-,12?/m1/s1.
What are the key properties of N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide?
N-butyl-2-[2-[(1R)-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-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide is sourced from PubChem (CID 63364873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).