2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide

C14H21ClN2O3 — CID 61485901

IUPAC2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C14H21ClN2O3/c1-10(16)7-11-8-12(15)3-4-13(11)20-9-14(18)17-5-6-19-2/h3-4,8,10H,5-7,9,16H2,1-2H3,(H,17,18)
InChIKeyGUWHNOAESYVUGU-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.37
Rot. Bonds8

About 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide

2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide (PubChem CID 61485901) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide
PubChem CID61485901
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C14H21ClN2O3/c1-10(16)7-11-8-12(15)3-4-13(11)20-9-14(18)17-5-6-19-2/h3-4,8,10H,5-7,9,16H2,1-2H3,(H,17,18)
InChIKeyGUWHNOAESYVUGU-UHFFFAOYSA-N
XLogP1.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.37
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-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78931610
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 62072700
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide
CID 54929439
[2-(2-methoxyethylamino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862378
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78936347
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
CID 63326072
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide
CID 107700905
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
CID 60906880
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide (CID 61485901) is 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(Cl)cc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide?
The InChIKey is GUWHNOAESYVUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-10(16)7-11-8-12(15)3-4-13(11)20-9-14(18)17-5-6-19-2/h3-4,8,10H,5-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide?
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide has a molecular weight of 300.79 g/mol, XLogP of 1.37, 8 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-chlorophenoxy]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 61485901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).