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

C14H22N2O — CID 43309032

IUPAC3-(3-aminophenyl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-3-5-11(2)16-14(17)9-8-12-6-4-7-13(15)10-12/h4,6-7,10-11H,3,5,8-9,15H2,1-2H3,(H,16,17)
InChIKeyXXXSWWYONMNGJW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds6

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

3-(3-aminophenyl)-N-pentan-2-ylpropanamide (PubChem CID 43309032) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-pentan-2-ylpropanamide
PubChem CID43309032
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(3-aminophenyl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-3-5-11(2)16-14(17)9-8-12-6-4-7-13(15)10-12/h4,6-7,10-11H,3,5,8-9,15H2,1-2H3,(H,16,17)
InChIKeyXXXSWWYONMNGJW-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
2-[3-(3-aminophenyl)propanoylamino]pentanoic acid
CID 115341301
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
CID 54955617
(2R)-2-[3-(3-aminophenyl)propanoylamino]propanoic acid
CID 113290562
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
2-[[3-(3-aminophenyl)propanoylamino]methyl]pentanoic acid
CID 115341508
3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 106347887
3-(3-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 115341627
3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 115341637
3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide
CID 80695549
3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
CID 82721321

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-pentan-2-ylpropanamide?
The IUPAC name of 3-(3-aminophenyl)-N-pentan-2-ylpropanamide (CID 43309032) is 3-(3-aminophenyl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-pentan-2-ylpropanamide?
The InChIKey is XXXSWWYONMNGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-11(2)16-14(17)9-8-12-6-4-7-13(15)10-12/h4,6-7,10-11H,3,5,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-aminophenyl)-N-pentan-2-ylpropanamide?
3-(3-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-(3-aminophenyl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43309032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).