2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide

C17H27NO3 — CID 63366476

IUPAC2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(C)cc1[C@@H](C)O
InChIInChI=1S/C17H27NO3/c1-6-14(7-2)18-17(20)13(5)21-16-9-8-11(3)10-15(16)12(4)19/h8-10,12-14,19H,6-7H2,1-5H3,(H,18,20)/t12-,13?/m1/s1
InChIKeyDTUCPUOMYICSME-PZORYLMUSA-N
MW293.41 g/mol
LogP3.12
Rot. Bonds7

About 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide

2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide (PubChem CID 63366476) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide
PubChem CID63366476
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(C)cc1[C@@H](C)O
InChIInChI=1S/C17H27NO3/c1-6-14(7-2)18-17(20)13(5)21-16-9-8-11(3)10-15(16)12(4)19/h8-10,12-14,19H,6-7H2,1-5H3,(H,18,20)/t12-,13?/m1/s1
InChIKeyDTUCPUOMYICSME-PZORYLMUSA-N
XLogP3.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide
CID 78936570
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 78934187
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 63367220
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]pentanoic acid
CID 83041581
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63366990
2-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]butanoic acid
CID 119223242
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-pentylpropanamide
CID 63367218
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63364137
2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43117670
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide (CID 63366476) is 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1ccc(C)cc1[C@@H](C)O.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide?
The InChIKey is DTUCPUOMYICSME-PZORYLMUSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-14(7-2)18-17(20)13(5)21-16-9-8-11(3)10-15(16)12(4)19/h8-10,12-14,19H,6-7H2,1-5H3,(H,18,20)/t12-,13?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide?
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63366476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).