4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide

C13H17NO4 — CID 63890145

IUPAC4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(OC)cc1C=O
InChIInChI=1S/C13H17NO4/c1-14-13(16)4-3-7-18-12-6-5-11(17-2)8-10(12)9-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyPVAZAZROTRGYAM-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.41
Rot. Bonds7

About 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide

4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide (PubChem CID 63890145) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
PubChem CID63890145
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(OC)cc1C=O
InChIInChI=1S/C13H17NO4/c1-14-13(16)4-3-7-18-12-6-5-11(17-2)8-10(12)9-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyPVAZAZROTRGYAM-UHFFFAOYSA-N
XLogP1.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.41
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

2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide
CID 55098349
3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
CID 107697303
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide
CID 142179795
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide
CID 9199687
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 8633827
N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634202
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812

Frequently Asked Questions

What is the IUPAC name of 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide?
The IUPAC name of 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide (CID 63890145) is 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide.
What is the SMILES notation for 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide?
The canonical SMILES for 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide is CNC(=O)CCCOc1ccc(OC)cc1C=O.
What is the InChIKey of 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide?
The InChIKey is PVAZAZROTRGYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14-13(16)4-3-7-18-12-6-5-11(17-2)8-10(12)9-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide?
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide has a molecular weight of 251.28 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide is sourced from PubChem (CID 63890145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).