3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide

C15H22N2O — CID 106186853

IUPAC3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide
SMILESCC(C)=CCNC(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)8-9-17-15(18)10-12(3)13-4-6-14(16)7-5-13/h4-8,12H,9-10,16H2,1-3H3,(H,17,18)
InChIKeyREVAWBXKUVNGEY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.84
Rot. Bonds5

About 3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide

3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide (PubChem CID 106186853) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide
PubChem CID106186853
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide
SMILESCC(C)=CCNC(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)8-9-17-15(18)10-12(3)13-4-6-14(16)7-5-13/h4-8,12H,9-10,16H2,1-3H3,(H,17,18)
InChIKeyREVAWBXKUVNGEY-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-aminophenyl)butanoylamino]-3-methylbutanoic acid
CID 104502854
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide
CID 104502779
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
2-[[3-(4-aminophenyl)butanoylamino]methyl]pentanoic acid
CID 104502735
2-[3-(4-aminophenyl)butanoylamino]butanedioic acid
CID 104502890
3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide
CID 113463843
3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide
CID 104502419
2-[3-(4-aminophenyl)butanoylamino]-3-hydroxybutanoic acid
CID 104502367
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide (CID 106186853) is 3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide is CC(C)=CCNC(=O)CC(C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide?
The InChIKey is REVAWBXKUVNGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)8-9-17-15(18)10-12(3)13-4-6-14(16)7-5-13/h4-8,12H,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide?
3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide has a molecular weight of 246.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide is sourced from PubChem (CID 106186853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).