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

C14H19NO2 — CID 113222109

IUPACN-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
SMILESCc1ccc(C)c(OCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C14H19NO2/c1-10-4-5-11(2)13(8-10)17-9-14(16)15(3)12-6-7-12/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyYWFDLBHOXMPMIG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds4

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

N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide (PubChem CID 113222109) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
PubChem CID113222109
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
SMILESCc1ccc(C)c(OCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C14H19NO2/c1-10-4-5-11(2)13(8-10)17-9-14(16)15(3)12-6-7-12/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyYWFDLBHOXMPMIG-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-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
CID 61488849
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-cyclopropyl-N-methyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63323656
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 60749452
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55372467
3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551855
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553158
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 61488783
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 79410255
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 65471703

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide (CID 113222109) is N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide is Cc1ccc(C)c(OCC(=O)N(C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide?
The InChIKey is YWFDLBHOXMPMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-5-11(2)13(8-10)17-9-14(16)15(3)12-6-7-12/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide?
N-cyclopropyl-2-(2,5-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-(2,5-dimethylphenoxy)-N-methylacetamide is sourced from PubChem (CID 113222109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).