2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide

C15H22Cl2N2O2 — CID 60907916

IUPAC2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide
SMILESCCC(N)Cc1cc(Cl)cc(Cl)c1OCC(=O)NC(C)C
InChIInChI=1S/C15H22Cl2N2O2/c1-4-12(18)6-10-5-11(16)7-13(17)15(10)21-8-14(20)19-9(2)3/h5,7,9,12H,4,6,8,18H2,1-3H3,(H,19,20)
InChIKeyDPJBRHMXMHBJAF-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.18
Rot. Bonds7

About 2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide

2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide (PubChem CID 60907916) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide
PubChem CID60907916
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide
SMILESCCC(N)Cc1cc(Cl)cc(Cl)c1OCC(=O)NC(C)C
InChIInChI=1S/C15H22Cl2N2O2/c1-4-12(18)6-10-5-11(16)7-13(17)15(10)21-8-14(20)19-9(2)3/h5,7,9,12H,4,6,8,18H2,1-3H3,(H,19,20)
InChIKeyDPJBRHMXMHBJAF-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957
2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43515791
3,5-dichloro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 43516130
1-[3,5-dichloro-2-(methoxymethoxy)phenyl]butan-2-amine
CID 65364695
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486830
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide
CID 60907526
4-[2-(2-aminobutyl)-4,6-dichlorophenoxy]butanenitrile
CID 54929145
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide
CID 104666110
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
CID 60905923
N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide
CID 43516026

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide (CID 60907916) is 2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide is CCC(N)Cc1cc(Cl)cc(Cl)c1OCC(=O)NC(C)C.
What is the InChIKey of 2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide?
The InChIKey is DPJBRHMXMHBJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-4-12(18)6-10-5-11(16)7-13(17)15(10)21-8-14(20)19-9(2)3/h5,7,9,12H,4,6,8,18H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide?
2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide has a molecular weight of 333.26 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 60907916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).