2-(2-formyl-5-propoxyphenoxy)butanamide

C14H19NO4 — CID 62901200

IUPAC2-(2-formyl-5-propoxyphenoxy)butanamide
SMILESCCCOc1ccc(C=O)c(OC(CC)C(N)=O)c1
InChIInChI=1S/C14H19NO4/c1-3-7-18-11-6-5-10(9-16)13(8-11)19-12(4-2)14(15)17/h5-6,8-9,12H,3-4,7H2,1-2H3,(H2,15,17)
InChIKeyDZTCWVFYQAMBDN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds8

About 2-(2-formyl-5-propoxyphenoxy)butanamide

2-(2-formyl-5-propoxyphenoxy)butanamide (PubChem CID 62901200) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-formyl-5-propoxyphenoxy)butanamide.

Molecular Properties

Compound Name2-(2-formyl-5-propoxyphenoxy)butanamide
PubChem CID62901200
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(2-formyl-5-propoxyphenoxy)butanamide
SMILESCCCOc1ccc(C=O)c(OC(CC)C(N)=O)c1
InChIInChI=1S/C14H19NO4/c1-3-7-18-11-6-5-10(9-16)13(8-11)19-12(4-2)14(15)17/h5-6,8-9,12H,3-4,7H2,1-2H3,(H2,15,17)
InChIKeyDZTCWVFYQAMBDN-UHFFFAOYSA-N
XLogP1.93
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
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-formylphenoxy)butanamide
CID 62900622
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide
CID 43388408
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
3-(2-formyl-5-propoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623386
2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43388394
2-(2-ethyl-2-hydroxybutoxy)-4-propoxybenzaldehyde
CID 114493979
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide
CID 62901536

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-5-propoxyphenoxy)butanamide?
The IUPAC name of 2-(2-formyl-5-propoxyphenoxy)butanamide (CID 62901200) is 2-(2-formyl-5-propoxyphenoxy)butanamide.
What is the SMILES notation for 2-(2-formyl-5-propoxyphenoxy)butanamide?
The canonical SMILES for 2-(2-formyl-5-propoxyphenoxy)butanamide is CCCOc1ccc(C=O)c(OC(CC)C(N)=O)c1.
What is the InChIKey of 2-(2-formyl-5-propoxyphenoxy)butanamide?
The InChIKey is DZTCWVFYQAMBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-7-18-11-6-5-10(9-16)13(8-11)19-12(4-2)14(15)17/h5-6,8-9,12H,3-4,7H2,1-2H3,(H2,15,17).
What are the key properties of 2-(2-formyl-5-propoxyphenoxy)butanamide?
2-(2-formyl-5-propoxyphenoxy)butanamide has a molecular weight of 265.31 g/mol, XLogP of 1.93, 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-propoxyphenoxy)butanamide is sourced from PubChem (CID 62901200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).