2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide

C15H23NO3 — CID 43505240

IUPAC2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(C)cc1C(C)O
InChIInChI=1S/C15H23NO3/c1-5-8-16-15(18)12(4)19-14-7-6-10(2)9-13(14)11(3)17/h6-7,9,11-12,17H,5,8H2,1-4H3,(H,16,18)
InChIKeySWJUPNIEVSRDHN-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.34
Rot. Bonds6

About 2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide

2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide (PubChem CID 43505240) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
PubChem CID43505240
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1ccc(C)cc1C(C)O
InChIInChI=1S/C15H23NO3/c1-5-8-16-15(18)12(4)19-14-7-6-10(2)9-13(14)11(3)17/h6-7,9,11-12,17H,5,8H2,1-4H3,(H,16,18)
InChIKeySWJUPNIEVSRDHN-UHFFFAOYSA-N
XLogP2.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 43505214
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide
CID 63366476
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide
CID 63639602
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 78946946
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
CID 83041581
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide
CID 55068252
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
CID 63322427
N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63364873
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-propylpropanamide
CID 62392946

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide (CID 43505240) is 2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1ccc(C)cc1C(C)O.
What is the InChIKey of 2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide?
The InChIKey is SWJUPNIEVSRDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-8-16-15(18)12(4)19-14-7-6-10(2)9-13(14)11(3)17/h6-7,9,11-12,17H,5,8H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide?
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide has a molecular weight of 265.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide is sourced from PubChem (CID 43505240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).