2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide

C15H24N2O — CID 108997322

IUPAC2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide
SMILESCC(C)CCNCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)9-10-16-11-15(18)17-13(3)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18)
InChIKeyFEAIRAJBMLUPMH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.50
Rot. Bonds7

About 2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide

2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide (PubChem CID 108997322) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide
PubChem CID108997322
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide
SMILESCC(C)CCNCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)9-10-16-11-15(18)17-13(3)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18)
InChIKeyFEAIRAJBMLUPMH-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide
CID 108997021
1-(5-methylhexan-2-yl)-3-(1-phenylethyl)urea
CID 78834581
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide (CID 108997322) is 2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide is CC(C)CCNCC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide?
The InChIKey is FEAIRAJBMLUPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)9-10-16-11-15(18)17-13(3)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide?
2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide has a molecular weight of 248.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 108997322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).