N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide

C15H19NO3 — CID 112611155

IUPACN-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide
SMILESCCN(C(=O)COc1c(C)cccc1C=O)C1CC1
InChIInChI=1S/C15H19NO3/c1-3-16(13-7-8-13)14(18)10-19-15-11(2)5-4-6-12(15)9-17/h4-6,9,13H,3,7-8,10H2,1-2H3
InChIKeyZUAIYKLTVVKYRX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.20
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide

N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide (PubChem CID 112611155) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide
PubChem CID112611155
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide
SMILESCCN(C(=O)COc1c(C)cccc1C=O)C1CC1
InChIInChI=1S/C15H19NO3/c1-3-16(13-7-8-13)14(18)10-19-15-11(2)5-4-6-12(15)9-17/h4-6,9,13H,3,7-8,10H2,1-2H3
InChIKeyZUAIYKLTVVKYRX-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.20
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-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 61488385
ethyl 2-(2-formyl-6-methylphenoxy)acetate
CID 57137176
2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 112611070
N-cyclobutyl-2-(2,6-dimethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 102684292
N-cyclohexyl-2-(2,6-dichlorophenoxy)-N-ethylacetamide
CID 112786349
2-(2-amino-4,6-dimethylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 62057785
3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 97179232
(E)-3-[2-[2-(diethylamino)-2-oxoethoxy]-3-methylphenyl]prop-2-enoic acid
CID 115957315
2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 112611076
2-(2-formyl-6-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 115955536
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide (CID 112611155) is N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide is CCN(C(=O)COc1c(C)cccc1C=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide?
The InChIKey is ZUAIYKLTVVKYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-16(13-7-8-13)14(18)10-19-15-11(2)5-4-6-12(15)9-17/h4-6,9,13H,3,7-8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide?
N-cyclopropyl-N-ethyl-2-(2-formyl-6-methylphenoxy)acetamide has a molecular weight of 261.32 g/mol, XLogP of 2.20, 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-(2-formyl-6-methylphenoxy)acetamide is sourced from PubChem (CID 112611155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).