3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide

C14H21N3O2 — CID 79589419

IUPAC3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide
SMILESCN(C)c1ccc(N)c(OCCC(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O2/c1-17(2)11-5-6-12(15)13(9-11)19-8-7-14(18)16-10-3-4-10/h5-6,9-10H,3-4,7-8,15H2,1-2H3,(H,16,18)
InChIKeyLZKRERBQJWBLBL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.38
Rot. Bonds6

About 3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide

3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide (PubChem CID 79589419) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide
PubChem CID79589419
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide
SMILESCN(C)c1ccc(N)c(OCCC(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O2/c1-17(2)11-5-6-12(15)13(9-11)19-8-7-14(18)16-10-3-4-10/h5-6,9-10H,3-4,7-8,15H2,1-2H3,(H,16,18)
InChIKeyLZKRERBQJWBLBL-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
CID 79588900
3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide
CID 55098582
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide
CID 104831210
2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574806
4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
CID 82070130
N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide
CID 55098349
4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol
CID 79588662
4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine
CID 106721717
2-[2-amino-5-(dimethylamino)phenoxy]-N-(cyanomethyl)acetamide
CID 79589161

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide (CID 79589419) is 3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide is CN(C)c1ccc(N)c(OCCC(=O)NC2CC2)c1.
What is the InChIKey of 3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide?
The InChIKey is LZKRERBQJWBLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(2)11-5-6-12(15)13(9-11)19-8-7-14(18)16-10-3-4-10/h5-6,9-10H,3-4,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide?
3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 79589419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).