N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide

C13H19NO3 — CID 78930612

IUPACN-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
SMILESCCNC(=O)CCOc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C13H19NO3/c1-3-14-13(16)8-9-17-12-6-4-11(5-7-12)10(2)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyVWNYLTUSNMNHJQ-SNVBAGLBSA-N
MW237.30 g/mol
LogP1.64
Rot. Bonds6

About N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide

N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide (PubChem CID 78930612) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
PubChem CID78930612
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
SMILESCCNC(=O)CCOc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C13H19NO3/c1-3-14-13(16)8-9-17-12-6-4-11(5-7-12)10(2)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyVWNYLTUSNMNHJQ-SNVBAGLBSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
methyl 3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 78955010
N-cyclopropyl-3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190758
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269
3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 78930528
(2R)-N-ethyl-2-[3-(4-propan-2-ylphenoxy)propanoylamino]propanamide
CID 94812564
N-[(2R)-2-(ethylamino)propyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 120654775
2-[4-[3-(ethylamino)-3-oxopropoxy]phenyl]acetic acid
CID 62325818
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide?
The IUPAC name of N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide (CID 78930612) is N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide.
What is the SMILES notation for N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide?
The canonical SMILES for N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide is CCNC(=O)CCOc1ccc([C@@H](C)O)cc1.
What is the InChIKey of N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide?
The InChIKey is VWNYLTUSNMNHJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-14-13(16)8-9-17-12-6-4-11(5-7-12)10(2)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide?
N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide is sourced from PubChem (CID 78930612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).