2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide

C15H21NO4 — CID 43086535

IUPAC2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(C=O)cc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C15H21NO4/c1-10(2)8-16-15(18)11(3)20-14-7-12(9-17)5-6-13(14)19-4/h5-7,9-11H,8H2,1-4H3,(H,16,18)
InChIKeyCDNPHUPTLCPKTE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.05
Rot. Bonds7

About 2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide

2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide (PubChem CID 43086535) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
PubChem CID43086535
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(C=O)cc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C15H21NO4/c1-10(2)8-16-15(18)11(3)20-14-7-12(9-17)5-6-13(14)19-4/h5-7,9-11H,8H2,1-4H3,(H,16,18)
InChIKeyCDNPHUPTLCPKTE-UHFFFAOYSA-N
XLogP2.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
2-(5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085566
2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112243
2-(5-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 62116591
(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 8558961
2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43112242
2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085549
2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide
CID 43086482
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43084736
2-(2-formyl-5-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 61269972
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 43267928

Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide (CID 43086535) is 2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide is COc1ccc(C=O)cc1OC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is CDNPHUPTLCPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)8-16-15(18)11(3)20-14-7-12(9-17)5-6-13(14)19-4/h5-7,9-11H,8H2,1-4H3,(H,16,18).
What are the key properties of 2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide?
2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43086535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).