2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide

C16H23NO4 — CID 43388394

IUPAC2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C16H23NO4/c1-5-8-20-14-7-6-13(10-18)15(9-14)21-11-16(19)17(4)12(2)3/h6-7,9-10,12H,5,8,11H2,1-4H3
InChIKeyDACBDZDHEBENNI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.53
Rot. Bonds8

About 2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide

2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide (PubChem CID 43388394) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
PubChem CID43388394
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)N(C)C(C)C)c1
InChIInChI=1S/C16H23NO4/c1-5-8-20-14-7-6-13(10-18)15(9-14)21-11-16(19)17(4)12(2)3/h6-7,9-10,12H,5,8,11H2,1-4H3
InChIKeyDACBDZDHEBENNI-UHFFFAOYSA-N
XLogP2.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9017740
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
3-(2-formyl-5-propoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623386
2-(2-ethyl-2-hydroxybutoxy)-4-propoxybenzaldehyde
CID 114493979
2-(4-bromo-2-formylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 28834277
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960500
2-(2-formyl-5-propoxyphenoxy)butanamide
CID 62901200

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide (CID 43388394) is 2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide is CCCOc1ccc(C=O)c(OCC(=O)N(C)C(C)C)c1.
What is the InChIKey of 2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is DACBDZDHEBENNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-8-20-14-7-6-13(10-18)15(9-14)21-11-16(19)17(4)12(2)3/h6-7,9-10,12H,5,8,11H2,1-4H3.
What are the key properties of 2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide?
2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 293.36 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43388394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).