2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide

C13H17NO4 — CID 60624302

IUPAC2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1cccc(C=O)c1
InChIInChI=1S/C13H17NO4/c1-10(8-17-2)14-13(16)9-18-12-5-3-4-11(6-12)7-15/h3-7,10H,8-9H2,1-2H3,(H,14,16)
InChIKeyVXIWQZTULJMFTR-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.03
Rot. Bonds7

About 2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide

2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 60624302) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID60624302
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1cccc(C=O)c1
InChIInChI=1S/C13H17NO4/c1-10(8-17-2)14-13(16)9-18-12-5-3-4-11(6-12)7-15/h3-7,10H,8-9H2,1-2H3,(H,14,16)
InChIKeyVXIWQZTULJMFTR-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
2-(3-formylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 90104695
2-(3-formylphenoxy)-N-pentan-3-ylacetamide
CID 60624295
2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 9113198
N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide
CID 29462813
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849
2-(3-methoxyphenoxy)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132651357
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 102723824

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide (CID 60624302) is 2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1cccc(C=O)c1.
What is the InChIKey of 2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is VXIWQZTULJMFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-10(8-17-2)14-13(16)9-18-12-5-3-4-11(6-12)7-15/h3-7,10H,8-9H2,1-2H3,(H,14,16).
What are the key properties of 2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 251.28 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 60624302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).