3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide

C15H25N3O — CID 104502632

IUPAC3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
SMILESCC(CC(=O)N(C)CCN(C)C)c1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-12(13-5-7-14(16)8-6-13)11-15(19)18(4)10-9-17(2)3/h5-8,12H,9-11,16H2,1-4H3
InChIKeyGPHXQWSSPBLGLX-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.78
Rot. Bonds6

About 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide

3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide (PubChem CID 104502632) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
PubChem CID104502632
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
SMILESCC(CC(=O)N(C)CCN(C)C)c1ccc(N)cc1
InChIInChI=1S/C15H25N3O/c1-12(13-5-7-14(16)8-6-13)11-15(19)18(4)10-9-17(2)3/h5-8,12H,9-11,16H2,1-4H3
InChIKeyGPHXQWSSPBLGLX-UHFFFAOYSA-N
XLogP1.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
CID 104502633
3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide
CID 104502669
3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107199352
3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
CID 104502518
methyl 2-[3-(4-aminophenyl)butanoyl-methylamino]acetate
CID 104502315
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
CID 104502770
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212
3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide
CID 104502295

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide (CID 104502632) is 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide is CC(CC(=O)N(C)CCN(C)C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide?
The InChIKey is GPHXQWSSPBLGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(13-5-7-14(16)8-6-13)11-15(19)18(4)10-9-17(2)3/h5-8,12H,9-11,16H2,1-4H3.
What are the key properties of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide?
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide is sourced from PubChem (CID 104502632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).