3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide

C17H29N3O — CID 104502419

IUPAC3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide
SMILESCC(CC(=O)NCC(C(C)C)N(C)C)c1ccc(N)cc1
InChIInChI=1S/C17H29N3O/c1-12(2)16(20(4)5)11-19-17(21)10-13(3)14-6-8-15(18)9-7-14/h6-9,12-13,16H,10-11,18H2,1-5H3,(H,19,21)
InChIKeyNWVHHVWMEDLQNV-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.46
Rot. Bonds7

About 3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide

3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide (PubChem CID 104502419) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide
PubChem CID104502419
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide
SMILESCC(CC(=O)NCC(C(C)C)N(C)C)c1ccc(N)cc1
InChIInChI=1S/C17H29N3O/c1-12(2)16(20(4)5)11-19-17(21)10-13(3)14-6-8-15(18)9-7-14/h6-9,12-13,16H,10-11,18H2,1-5H3,(H,19,21)
InChIKeyNWVHHVWMEDLQNV-UHFFFAOYSA-N
XLogP2.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
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-[2-(dimethylamino)ethyl]butanamide
CID 113420011
4-[3-(4-aminophenyl)butanoylamino]-3-methylbutanoic acid
CID 104502854
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106337406
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
2-[[3-(4-aminophenyl)butanoylamino]methyl]pentanoic acid
CID 104502735
3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide
CID 113463843
3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
CID 104502586
3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide
CID 106186853
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527
3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide
CID 104502779
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide (CID 104502419) is 3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide is CC(CC(=O)NCC(C(C)C)N(C)C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide?
The InChIKey is NWVHHVWMEDLQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)16(20(4)5)11-19-17(21)10-13(3)14-6-8-15(18)9-7-14/h6-9,12-13,16H,10-11,18H2,1-5H3,(H,19,21).
What are the key properties of 3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide?
3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide has a molecular weight of 291.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide is sourced from PubChem (CID 104502419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).