2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C14H18ClNO2 — CID 78762100

IUPAC2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)COc1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-4-16(9-11(2)3)14(17)10-18-13-8-6-5-7-12(13)15/h5-8H,2,4,9-10H2,1,3H3
InChIKeyVPKXQIZBKXHCCE-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.14
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 78762100) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID78762100
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)COc1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-4-16(9-11(2)3)14(17)10-18-13-8-6-5-7-12(13)15/h5-8H,2,4,9-10H2,1,3H3
InChIKeyVPKXQIZBKXHCCE-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetylphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 112781553
3-chloro-4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzoic acid
CID 60651738
2-(2,6-dimethoxyphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767254
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 134037927
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315041
N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide
CID 34092355
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 55315903
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
2-(4-chloro-2-nitrophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78764848
N-ethyl-2-(4-methylphenoxy)-N-(2-methylprop-2-enyl)acetamide
CID 78762140

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 78762100) is 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is VPKXQIZBKXHCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-4-16(9-11(2)3)14(17)10-18-13-8-6-5-7-12(13)15/h5-8H,2,4,9-10H2,1,3H3.
What are the key properties of 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 267.76 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 78762100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).