2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide

C16H25NO4 — CID 43117670

IUPAC2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1cc(CO)ccc1OC
InChIInChI=1S/C16H25NO4/c1-5-13(6-2)17-16(19)11(3)21-15-9-12(10-18)7-8-14(15)20-4/h7-9,11,13,18H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyNYVCXEMLBCHNKD-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.26
Rot. Bonds8

About 2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide

2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide (PubChem CID 43117670) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
PubChem CID43117670
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1cc(CO)ccc1OC
InChIInChI=1S/C16H25NO4/c1-5-13(6-2)17-16(19)11(3)21-15-9-12(10-18)7-8-14(15)20-4/h7-9,11,13,18H,5-6,10H2,1-4H3,(H,17,19)
InChIKeyNYVCXEMLBCHNKD-UHFFFAOYSA-N
XLogP2.26
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43122490
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylpropanamide
CID 63045151
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43268118
ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
CID 64662769
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-pentan-3-ylpropanamide
CID 63366476
N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
CID 43115697
2-(4-bromo-2-carbamothioylphenoxy)-N-pentan-3-ylpropanamide
CID 83136097
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278792
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide
CID 63052140

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide (CID 43117670) is 2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1cc(CO)ccc1OC.
What is the InChIKey of 2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide?
The InChIKey is NYVCXEMLBCHNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-13(6-2)17-16(19)11(3)21-15-9-12(10-18)7-8-14(15)20-4/h7-9,11,13,18H,5-6,10H2,1-4H3,(H,17,19).
What are the key properties of 2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide?
2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide has a molecular weight of 295.38 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43117670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).