2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

C16H23NO2 — CID 115699527

IUPAC2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C16H23NO2/c1-12(2)11-19-8-7-17-16(18)10-15-9-13(3)5-6-14(15)4/h5-6,9H,1,7-8,10-11H2,2-4H3,(H,17,18)
InChIKeyJZQCBDRLAQPMRX-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.55
Rot. Bonds7

About 2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (PubChem CID 115699527) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
PubChem CID115699527
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C16H23NO2/c1-12(2)11-19-8-7-17-16(18)10-15-9-13(3)5-6-14(15)4/h5-6,9H,1,7-8,10-11H2,2-4H3,(H,17,18)
InChIKeyJZQCBDRLAQPMRX-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid
CID 79468988
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 63756094
4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699973
2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699674
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699567
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
CID 115609084
(E)-3-(2,4-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]prop-2-enamide
CID 115699885
2-(2,6-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699812
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115700114
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
(E)-3-(3-methylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]prop-2-enamide
CID 115699968
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (CID 115699527) is 2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is C=C(C)COCCNC(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The InChIKey is JZQCBDRLAQPMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)11-19-8-7-17-16(18)10-15-9-13(3)5-6-14(15)4/h5-6,9H,1,7-8,10-11H2,2-4H3,(H,17,18).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide has a molecular weight of 261.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is sourced from PubChem (CID 115699527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).