N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide

C15H19ClN2O3 — CID 113052275

IUPACN-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide
SMILESC=CCN(CCNC(=O)COc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C15H19ClN2O3/c1-3-9-18(12(2)19)10-8-17-15(20)11-21-14-6-4-13(16)5-7-14/h3-7H,1,8-11H2,2H3,(H,17,20)
InChIKeyPDLJEBBCWADVMG-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.87
Rot. Bonds8

About N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide

N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 113052275) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID113052275
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide
SMILESC=CCN(CCNC(=O)COc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C15H19ClN2O3/c1-3-9-18(12(2)19)10-8-17-15(20)11-21-14-6-4-13(16)5-7-14/h3-7H,1,8-11H2,2H3,(H,17,20)
InChIKeyPDLJEBBCWADVMG-UHFFFAOYSA-N
XLogP1.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide
CID 113053780
N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide
CID 84571935
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113057322
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide
CID 137400318
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
2-[2-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 16978893
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide (CID 113052275) is N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide is C=CCN(CCNC(=O)COc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is PDLJEBBCWADVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-3-9-18(12(2)19)10-8-17-15(20)11-21-14-6-4-13(16)5-7-14/h3-7H,1,8-11H2,2H3,(H,17,20).
What are the key properties of N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide?
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 310.78 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 113052275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).