N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide

C16H22Cl2N2O3 — CID 113052412

IUPACN-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCCCCN(CCNC(=O)COc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C16H22Cl2N2O3/c1-3-4-8-20(12(2)21)9-7-19-16(22)11-23-15-6-5-13(17)10-14(15)18/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,22)
InChIKeyVQDAUPXJGOJNNS-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.14
Rot. Bonds9

About N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide

N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 113052412) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID113052412
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC NameN-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCCCCN(CCNC(=O)COc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C16H22Cl2N2O3/c1-3-4-8-20(12(2)21)9-7-19-16(22)11-23-15-6-5-13(17)10-14(15)18/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,22)
InChIKeyVQDAUPXJGOJNNS-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113053174
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108572858
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide
CID 113053780
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113068036
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide
CID 113057117
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 99993692

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide (CID 113052412) is N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide is CCCCN(CCNC(=O)COc1ccc(Cl)cc1Cl)C(C)=O.
What is the InChIKey of N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is VQDAUPXJGOJNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3/c1-3-4-8-20(12(2)21)9-7-19-16(22)11-23-15-6-5-13(17)10-14(15)18/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 361.27 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(butyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 113052412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).