3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide

C15H25N3O2 — CID 82153401

IUPAC3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)CCOc1ccc(CCC(=O)N(C)C)cc1N
InChIInChI=1S/C15H25N3O2/c1-17(2)9-10-20-14-7-5-12(11-13(14)16)6-8-15(19)18(3)4/h5,7,11H,6,8-10,16H2,1-4H3
InChIKeyMDMSHAYGIRFDPM-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.23
Rot. Bonds7

About 3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide

3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide (PubChem CID 82153401) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
PubChem CID82153401
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)CCOc1ccc(CCC(=O)N(C)C)cc1N
InChIInChI=1S/C15H25N3O2/c1-17(2)9-10-20-14-7-5-12(11-13(14)16)6-8-15(19)18(3)4/h5,7,11H,6,8-10,16H2,1-4H3
InChIKeyMDMSHAYGIRFDPM-UHFFFAOYSA-N
XLogP1.23
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide
CID 82153398
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 18783983
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one
CID 82064323
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 94759123
3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide
CID 39131014
2-[2-(dimethylamino)ethoxy]-5-iodoaniline
CID 66081959
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 82071517
2-methylpropyl 3-amino-4-[2-(dimethylamino)ethoxy]benzoate
CID 82057399

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide (CID 82153401) is 3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide is CN(C)CCOc1ccc(CCC(=O)N(C)C)cc1N.
What is the InChIKey of 3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide?
The InChIKey is MDMSHAYGIRFDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17(2)9-10-20-14-7-5-12(11-13(14)16)6-8-15(19)18(3)4/h5,7,11H,6,8-10,16H2,1-4H3.
What are the key properties of 3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide?
3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 82153401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).