2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide

C14H17Cl2N3O2 — CID 60907526

IUPAC2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide
SMILESCC(N)Cc1cc(Cl)cc(Cl)c1OCC(=O)NCCC#N
InChIInChI=1S/C14H17Cl2N3O2/c1-9(18)5-10-6-11(15)7-12(16)14(10)21-8-13(20)19-4-2-3-17/h6-7,9H,2,4-5,8,18H2,1H3,(H,19,20)
InChIKeySPESXNHHWAWSND-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.29
Rot. Bonds7

About 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide

2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide (PubChem CID 60907526) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide
PubChem CID60907526
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide
SMILESCC(N)Cc1cc(Cl)cc(Cl)c1OCC(=O)NCCC#N
InChIInChI=1S/C14H17Cl2N3O2/c1-9(18)5-10-6-11(15)7-12(16)14(10)21-8-13(20)19-4-2-3-17/h6-7,9H,2,4-5,8,18H2,1H3,(H,19,20)
InChIKeySPESXNHHWAWSND-UHFFFAOYSA-N
XLogP2.29
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-(2-cyanoethyl)acetamide
CID 104666875
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486646
2-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 115954541
N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide
CID 60888684
N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide
CID 46568862
2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide
CID 60907916
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 28897847
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
CID 60905923
3-chloro-4-[2-(2-cyanoethylamino)-2-oxoethoxy]-5-methoxybenzoic acid
CID 28898071
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-methylpropanamide
CID 54928907
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-cyanoethyl)acetamide
CID 60882577
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide
CID 61485901

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide (CID 60907526) is 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide is CC(N)Cc1cc(Cl)cc(Cl)c1OCC(=O)NCCC#N.
What is the InChIKey of 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide?
The InChIKey is SPESXNHHWAWSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-9(18)5-10-6-11(15)7-12(16)14(10)21-8-13(20)19-4-2-3-17/h6-7,9H,2,4-5,8,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide?
2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide has a molecular weight of 330.22 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-4,6-dichlorophenoxy]-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 60907526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).