3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide

C15H24N2O — CID 54955617

IUPAC3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
SMILESCCC(C)C(C)NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-4-11(2)12(3)17-15(18)9-8-13-6-5-7-14(16)10-13/h5-7,10-12H,4,8-9,16H2,1-3H3,(H,17,18)
InChIKeyGDFNDWYFLZBHKN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.75
Rot. Bonds6

About 3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide

3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide (PubChem CID 54955617) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
PubChem CID54955617
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
SMILESCCC(C)C(C)NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-4-11(2)12(3)17-15(18)9-8-13-6-5-7-14(16)10-13/h5-7,10-12H,4,8-9,16H2,1-3H3,(H,17,18)
InChIKeyGDFNDWYFLZBHKN-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.75
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-pentan-2-ylpropanamide
CID 43309032
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
(2R)-2-[3-(3-aminophenyl)propanoylamino]propanoic acid
CID 113290562
2-[3-(3-aminophenyl)propanoylamino]pentanoic acid
CID 115341301
3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
CID 82721321
2-[3-(3-aminophenyl)propanoylamino]-3-methoxypropanoic acid
CID 115341613
2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 113484647
3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 115341637
3-(3-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 115341627
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
3-(3-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
CID 115341572

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide (CID 54955617) is 3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide is CCC(C)C(C)NC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide?
The InChIKey is GDFNDWYFLZBHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-11(2)12(3)17-15(18)9-8-13-6-5-7-14(16)10-13/h5-7,10-12H,4,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide?
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.75, 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-(3-methylpentan-2-yl)propanamide is sourced from PubChem (CID 54955617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).