3-(4-aminophenyl)-N-pentan-2-ylpropanamide

C14H22N2O — CID 43309033

IUPAC3-(4-aminophenyl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-3-4-11(2)16-14(17)10-7-12-5-8-13(15)9-6-12/h5-6,8-9,11H,3-4,7,10,15H2,1-2H3,(H,16,17)
InChIKeyZPMQBVDXGAAJRL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds6

About 3-(4-aminophenyl)-N-pentan-2-ylpropanamide

3-(4-aminophenyl)-N-pentan-2-ylpropanamide (PubChem CID 43309033) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-pentan-2-ylpropanamide
PubChem CID43309033
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(4-aminophenyl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-3-4-11(2)16-14(17)10-7-12-5-8-13(15)9-6-12/h5-6,8-9,11H,3-4,7,10,15H2,1-2H3,(H,16,17)
InChIKeyZPMQBVDXGAAJRL-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309032
(2S,3R)-2-[3-(4-aminophenyl)propanoylamino]-3-hydroxybutanoic acid
CID 104965265
2-[(4-aminophenyl)methyl-ethylamino]-N-pentan-2-ylacetamide
CID 61489645
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 115341674
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 115341658
3-[3-(4-propan-2-ylphenyl)propanoylamino]butanoic acid
CID 119221299
N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
CID 61218501
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 61117007
1-(4-aminophenyl)hexan-3-one
CID 116605405
5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-pentan-2-ylpropanamide?
The IUPAC name of 3-(4-aminophenyl)-N-pentan-2-ylpropanamide (CID 43309033) is 3-(4-aminophenyl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-pentan-2-ylpropanamide?
The InChIKey is ZPMQBVDXGAAJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-11(2)16-14(17)10-7-12-5-8-13(15)9-6-12/h5-6,8-9,11H,3-4,7,10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-aminophenyl)-N-pentan-2-ylpropanamide?
3-(4-aminophenyl)-N-pentan-2-ylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43309033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).