3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide

C16H25N3O2 — CID 104502416

IUPAC3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
SMILESCC(C)C(=O)NCCNC(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)16(21)19-9-8-18-15(20)10-12(3)13-4-6-14(17)7-5-13/h4-7,11-12H,8-10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyORNSJRRBZOHODP-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.65
Rot. Bonds7

About 3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide

3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide (PubChem CID 104502416) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
PubChem CID104502416
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
SMILESCC(C)C(=O)NCCNC(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)16(21)19-9-8-18-15(20)10-12(3)13-4-6-14(17)7-5-13/h4-7,11-12H,8-10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyORNSJRRBZOHODP-UHFFFAOYSA-N
XLogP1.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527
3-(4-aminophenyl)-N-hex-5-ynylbutanamide
CID 106213111
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106337406
3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
CID 104502586
3-(4-aminophenyl)-N-(2-piperidin-1-ylethyl)butanamide
CID 104502480
3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide
CID 106186853
4-[3-(4-aminophenyl)butanoylamino]-3-methylbutanoic acid
CID 104502854
3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide
CID 104502469
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide
CID 119505694

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide (CID 104502416) is 3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide is CC(C)C(=O)NCCNC(=O)CC(C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide?
The InChIKey is ORNSJRRBZOHODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)16(21)19-9-8-18-15(20)10-12(3)13-4-6-14(17)7-5-13/h4-7,11-12H,8-10,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide?
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide has a molecular weight of 291.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide is sourced from PubChem (CID 104502416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).