2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide

C16H25NO4 — CID 61267387

IUPAC2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1cc(OC)ccc1CO
InChIInChI=1S/C16H25NO4/c1-4-5-6-9-17-16(19)12(2)21-15-10-14(20-3)8-7-13(15)11-18/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyIKGBZYLONAXLAC-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.26
Rot. Bonds9

About 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide

2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide (PubChem CID 61267387) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
PubChem CID61267387
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1cc(OC)ccc1CO
InChIInChI=1S/C16H25NO4/c1-4-5-6-9-17-16(19)12(2)21-15-10-14(20-3)8-7-13(15)11-18/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyIKGBZYLONAXLAC-UHFFFAOYSA-N
XLogP2.26
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766
2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide
CID 61267567
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 61267389
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
CID 61269246
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 43267928
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-prop-2-ynylpropanamide
CID 43472169
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 61270005
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929
2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 80722346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide (CID 61267387) is 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1cc(OC)ccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide?
The InChIKey is IKGBZYLONAXLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-5-6-9-17-16(19)12(2)21-15-10-14(20-3)8-7-13(15)11-18/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide?
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide has a molecular weight of 295.38 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide is sourced from PubChem (CID 61267387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).