2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide

C15H23N3O2 — CID 43574806

IUPAC2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CCCOc1ccccc1N)CC(=O)NC1CC1
InChIInChI=1S/C15H23N3O2/c1-18(11-15(19)17-12-7-8-12)9-4-10-20-14-6-3-2-5-13(14)16/h2-3,5-6,12H,4,7-11,16H2,1H3,(H,17,19)
InChIKeyJJTJTVZKUVKAJM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.25
Rot. Bonds8

About 2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide

2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide (PubChem CID 43574806) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
PubChem CID43574806
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CCCOc1ccccc1N)CC(=O)NC1CC1
InChIInChI=1S/C15H23N3O2/c1-18(11-15(19)17-12-7-8-12)9-4-10-20-14-6-3-2-5-13(14)16/h2-3,5-6,12H,4,7-11,16H2,1H3,(H,17,19)
InChIKeyJJTJTVZKUVKAJM-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574807
N-cyclopropyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 8909311
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 43572560
N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide
CID 87013578
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 60507065
methyl 2-amino-6-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 104824355
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 27123734
3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide
CID 79589419
2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 55241095
N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
CID 91835840
2-[3-[methyl(3-methylbutyl)amino]propoxy]aniline
CID 61425855

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide (CID 43574806) is 2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide is CN(CCCOc1ccccc1N)CC(=O)NC1CC1.
What is the InChIKey of 2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is JJTJTVZKUVKAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(11-15(19)17-12-7-8-12)9-4-10-20-14-6-3-2-5-13(14)16/h2-3,5-6,12H,4,7-11,16H2,1H3,(H,17,19).
What are the key properties of 2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide?
2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 277.37 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43574806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).