N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide

C14H18ClNO2 — CID 113238561

IUPACN-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESC=C(Cl)CNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C14H18ClNO2/c1-10(2)12-6-4-5-7-13(12)18-9-14(17)16-8-11(3)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyUIZWQFPITYRMBO-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.06
Rot. Bonds6

About N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 113238561) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID113238561
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESC=C(Cl)CNC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C14H18ClNO2/c1-10(2)12-6-4-5-7-13(12)18-9-14(17)16-8-11(3)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyUIZWQFPITYRMBO-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103919361
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-(2,3-dihydroxy-2-methylpropyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 66170658
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 104858235
2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
CID 107832254
N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
N-cyclohexyl-2-(2-propan-2-ylphenoxy)acetamide
CID 725880
N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981
N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 115668941

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 113238561) is N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide is C=C(Cl)CNC(=O)COc1ccccc1C(C)C.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is UIZWQFPITYRMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(2)12-6-4-5-7-13(12)18-9-14(17)16-8-11(3)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 267.76 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 113238561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).