N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide

C16H21NO3 — CID 61488385

IUPACN-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCCN(C(=O)COc1c(C)cc(C=O)cc1C)C1CC1
InChIInChI=1S/C16H21NO3/c1-4-17(14-5-6-14)15(19)10-20-16-11(2)7-13(9-18)8-12(16)3/h7-9,14H,4-6,10H2,1-3H3
InChIKeyBOUCERPMOHJYAI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.51
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide

N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide (PubChem CID 61488385) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
PubChem CID61488385
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCCN(C(=O)COc1c(C)cc(C=O)cc1C)C1CC1
InChIInChI=1S/C16H21NO3/c1-4-17(14-5-6-14)15(19)10-20-16-11(2)7-13(9-18)8-12(16)3/h7-9,14H,4-6,10H2,1-3H3
InChIKeyBOUCERPMOHJYAI-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide
CID 112611155
2-(2-amino-4,6-dimethylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 62057785
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636
N-cyclopropyl-N-(2-hydroxyethyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 43576640
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
N-cyclopropyl-N-ethyl-2-(4-fluoro-3-methylphenoxy)acetamide
CID 81421978
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 65471703
N-cyclohexyl-2-(2,6-dichlorophenoxy)-N-ethylacetamide
CID 112786349
2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488078
2-(2-amino-6-bromo-4-chlorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488077
N-cyclopropyl-N-ethyl-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854538
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide (CID 61488385) is N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide is CCN(C(=O)COc1c(C)cc(C=O)cc1C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The InChIKey is BOUCERPMOHJYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-17(14-5-6-14)15(19)10-20-16-11(2)7-13(9-18)8-12(16)3/h7-9,14H,4-6,10H2,1-3H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 61488385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).