2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide

C14H23N3O2 — CID 61450185

IUPAC2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CCOc1ccc(N)cc1
InChIInChI=1S/C14H23N3O2/c1-3-8-16-14(18)11-17(2)9-10-19-13-6-4-12(15)5-7-13/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyPDMJPHYXHKLRAA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.11
Rot. Bonds8

About 2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide

2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide (PubChem CID 61450185) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
PubChem CID61450185
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CCOc1ccc(N)cc1
InChIInChI=1S/C14H23N3O2/c1-3-8-16-14(18)11-17(2)9-10-19-13-6-4-12(15)5-7-13/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyPDMJPHYXHKLRAA-UHFFFAOYSA-N
XLogP1.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[2-(4-methoxyphenoxy)ethyl-methylamino]acetyl]amino]-N-propylpropanamide
CID 45354959
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18124582
N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 87013061
N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8754959
2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574807
2-(4-amino-N-propylanilino)-N-propylacetamide
CID 55174400
2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide
CID 54908666
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374648
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 18094863
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18083569

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide (CID 61450185) is 2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CCOc1ccc(N)cc1.
What is the InChIKey of 2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide?
The InChIKey is PDMJPHYXHKLRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-8-16-14(18)11-17(2)9-10-19-13-6-4-12(15)5-7-13/h4-7H,3,8-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide?
2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide has a molecular weight of 265.36 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 61450185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).