N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide

C16H19NO3 — CID 29462813

IUPACN-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide
SMILESO=Cc1cccc(OCC(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C16H19NO3/c18-9-11-2-1-3-14(8-11)20-10-15(19)17-16(12-4-5-12)13-6-7-13/h1-3,8-9,12-13,16H,4-7,10H2,(H,17,19)
InChIKeyUJOFLKLSNFLKOX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.18
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide

N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide (PubChem CID 29462813) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide
PubChem CID29462813
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide
SMILESO=Cc1cccc(OCC(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C16H19NO3/c18-9-11-2-1-3-14(8-11)20-10-15(19)17-16(12-4-5-12)13-6-7-13/h1-3,8-9,12-13,16H,4-7,10H2,(H,17,19)
InChIKeyUJOFLKLSNFLKOX-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-formylphenoxy)-N-pentan-3-ylacetamide
CID 60624295
2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60624302
N-(dicyclopropylmethyl)-2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36994505
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide
CID 29465196
N-(2-cyanoethyl)-2-(3-formylphenoxy)acetamide
CID 24700275
2-[3-(dicyclopropylmethylamino)phenoxy]acetamide
CID 43720251
N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide
CID 2989004
2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
CID 86685448
3-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzaldehyde
CID 60624316
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
CID 66489078
N-(2-amino-1-cyclopropylethyl)-2-(3-methylphenoxy)acetamide
CID 119616033
3-(cyclobutylmethoxy)benzaldehyde
CID 58027526

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide (CID 29462813) is N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide is O=Cc1cccc(OCC(=O)NC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide?
The InChIKey is UJOFLKLSNFLKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-9-11-2-1-3-14(8-11)20-10-15(19)17-16(12-4-5-12)13-6-7-13/h1-3,8-9,12-13,16H,4-7,10H2,(H,17,19).
What are the key properties of N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide?
N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide has a molecular weight of 273.33 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide is sourced from PubChem (CID 29462813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).