2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide

C16H23NO4 — CID 61267567

IUPAC2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1cc(OC)ccc1C=O
InChIInChI=1S/C16H23NO4/c1-4-5-6-9-17-16(19)12(2)21-15-10-14(20-3)8-7-13(15)11-18/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyHZXYLALHYXCKSS-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.58
Rot. Bonds9

About 2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide

2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide (PubChem CID 61267567) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide
PubChem CID61267567
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1cc(OC)ccc1C=O
InChIInChI=1S/C16H23NO4/c1-4-5-6-9-17-16(19)12(2)21-15-10-14(20-3)8-7-13(15)11-18/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyHZXYLALHYXCKSS-UHFFFAOYSA-N
XLogP2.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide
CID 61267753
2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 61267937
2-(2-formyl-5-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 61269972
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
CID 61267387
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide
CID 43388408
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
CID 115955752
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide?
The IUPAC name of 2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide (CID 61267567) is 2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide.
What is the SMILES notation for 2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide?
The canonical SMILES for 2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1cc(OC)ccc1C=O.
What is the InChIKey of 2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide?
The InChIKey is HZXYLALHYXCKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-5-6-9-17-16(19)12(2)21-15-10-14(20-3)8-7-13(15)11-18/h7-8,10-12H,4-6,9H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide?
2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide has a molecular weight of 293.36 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide is sourced from PubChem (CID 61267567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).