3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide

C15H25N3O2 — CID 63694079

IUPAC3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
SMILESCN(C)CCCN(C)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-17(2)10-4-11-18(3)15(19)9-12-20-14-7-5-13(16)6-8-14/h5-8H,4,9-12,16H2,1-3H3
InChIKeyMLFBBPOADWMKNE-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.45
Rot. Bonds8

About 3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide

3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide (PubChem CID 63694079) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
PubChem CID63694079
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
SMILESCN(C)CCCN(C)C(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H25N3O2/c1-17(2)10-4-11-18(3)15(19)9-12-20-14-7-5-13(16)6-8-14/h5-8H,4,9-12,16H2,1-3H3
InChIKeyMLFBBPOADWMKNE-UHFFFAOYSA-N
XLogP1.45
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
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

3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 113498542
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide
CID 61126914
3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61093094
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide (CID 63694079) is 3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide is CN(C)CCCN(C)C(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide?
The InChIKey is MLFBBPOADWMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17(2)10-4-11-18(3)15(19)9-12-20-14-7-5-13(16)6-8-14/h5-8H,4,9-12,16H2,1-3H3.
What are the key properties of 3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide?
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide is sourced from PubChem (CID 63694079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).