N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide

C14H19NO2 — CID 60749452

IUPACN-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
SMILESCc1cc(C)cc(OCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C14H19NO2/c1-10-6-11(2)8-13(7-10)17-9-14(16)15(3)12-4-5-12/h6-8,12H,4-5,9H2,1-3H3
InChIKeyBOVRWNYPTKRLHS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds4

About N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide

N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide (PubChem CID 60749452) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
PubChem CID60749452
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
SMILESCc1cc(C)cc(OCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C14H19NO2/c1-10-6-11(2)8-13(7-10)17-9-14(16)15(3)12-4-5-12/h6-8,12H,4-5,9H2,1-3H3
InChIKeyBOVRWNYPTKRLHS-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide
CID 96517678
3-(3,5-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443487
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
CID 61488607
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79117952
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
CID 61488849
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61489511
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 65471703
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid
CID 155254242

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide (CID 60749452) is N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide is Cc1cc(C)cc(OCC(=O)N(C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide?
The InChIKey is BOVRWNYPTKRLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-6-11(2)8-13(7-10)17-9-14(16)15(3)12-4-5-12/h6-8,12H,4-5,9H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide?
N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide has a molecular weight of 233.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide is sourced from PubChem (CID 60749452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).