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

C14H17NO3 — CID 26054636

IUPACN-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(C=O)cc(C)c1OCC(=O)NC1CC1
InChIInChI=1S/C14H17NO3/c1-9-5-11(7-16)6-10(2)14(9)18-8-13(17)15-12-3-4-12/h5-7,12H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyWEVUWIAVTZCWGY-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.77
Rot. Bonds5

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

N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide (PubChem CID 26054636) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
PubChem CID26054636
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(C=O)cc(C)c1OCC(=O)NC1CC1
InChIInChI=1S/C14H17NO3/c1-9-5-11(7-16)6-10(2)14(9)18-8-13(17)15-12-3-4-12/h5-7,12H,3-4,8H2,1-2H3,(H,15,17)
InChIKeyWEVUWIAVTZCWGY-UHFFFAOYSA-N
XLogP1.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.77
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

N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
4-[2-(cyclopropylamino)-2-oxoethoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82910359
N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide
CID 43276771
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopentylacetamide
CID 65473029
N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696240
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 65470752
N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 61488385
5-bromo-2-[2-(cyclopropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 112620836
2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7696271
[2-(cyclooctylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24817967
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide (CID 26054636) is N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide is Cc1cc(C=O)cc(C)c1OCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The InChIKey is WEVUWIAVTZCWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-5-11(7-16)6-10(2)14(9)18-8-13(17)15-12-3-4-12/h5-7,12H,3-4,8H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide has a molecular weight of 247.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 26054636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).