2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide

C14H23N3O2 — CID 43374542

IUPAC2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CCCOc1cccc(N)c1)CC(=O)N(C)C
InChIInChI=1S/C14H23N3O2/c1-16(2)14(18)11-17(3)8-5-9-19-13-7-4-6-12(15)10-13/h4,6-7,10H,5,8-9,11,15H2,1-3H3
InChIKeyATCNAKGFZCKMNX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.06
Rot. Bonds7

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

2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide (PubChem CID 43374542) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide
PubChem CID43374542
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CCCOc1cccc(N)c1)CC(=O)N(C)C
InChIInChI=1S/C14H23N3O2/c1-16(2)14(18)11-17(3)8-5-9-19-13-7-4-6-12(15)10-13/h4,6-7,10H,5,8-9,11,15H2,1-3H3
InChIKeyATCNAKGFZCKMNX-UHFFFAOYSA-N
XLogP1.06
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
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

5-[3-(3-aminophenoxy)propyl-methylamino]pentan-1-ol
CID 107198256
3-[3-[(4-chlorophenyl)methyl-methylamino]propoxy]aniline
CID 61414637
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
3-[3-[(3-bromophenyl)methyl-methylamino]propoxy]aniline
CID 61415944
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
CID 43587259
3-[6-[methyl(prop-2-enyl)amino]hexoxy]aniline
CID 140979271

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide (CID 43374542) is 2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide is CN(CCCOc1cccc(N)c1)CC(=O)N(C)C.
What is the InChIKey of 2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is ATCNAKGFZCKMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(2)14(18)11-17(3)8-5-9-19-13-7-4-6-12(15)10-13/h4,6-7,10H,5,8-9,11,15H2,1-3H3.
What are the key properties of 2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide?
2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 265.36 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43374542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).