2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide

C16H23NO4 — CID 61267937

IUPAC2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(C=O)c(OC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H23NO4/c1-11(2)7-8-17-16(19)12(3)21-15-9-14(20-4)6-5-13(15)10-18/h5-6,9-12H,7-8H2,1-4H3,(H,17,19)
InChIKeyOLKYMNWFIYGAGQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.44
Rot. Bonds8

About 2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide

2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide (PubChem CID 61267937) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide
PubChem CID61267937
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(C=O)c(OC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H23NO4/c1-11(2)7-8-17-16(19)12(3)21-15-9-14(20-4)6-5-13(15)10-18/h5-6,9-12H,7-8H2,1-4H3,(H,17,19)
InChIKeyOLKYMNWFIYGAGQ-UHFFFAOYSA-N
XLogP2.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.44
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

2-(2-formyl-5-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 61269972
N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide
CID 61267753
2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide
CID 61267567
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112243
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 61270005
2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide
CID 43388408
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]-N-(2-methoxyethyl)propanamide
CID 82003316
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
CID 61060048
N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide
CID 43212710

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide (CID 61267937) is 2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide is COc1ccc(C=O)c(OC(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
The InChIKey is OLKYMNWFIYGAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)7-8-17-16(19)12(3)21-15-9-14(20-4)6-5-13(15)10-18/h5-6,9-12H,7-8H2,1-4H3,(H,17,19).
What are the key properties of 2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide?
2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide has a molecular weight of 293.36 g/mol, XLogP of 2.44, 8 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 61267937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).