2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide

C13H20N2O — CID 115260058

IUPAC2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
SMILESCC(C)c1ccc(CCNCC(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)12-5-3-11(4-6-12)7-8-15-9-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16)
InChIKeyFYAVUNUTWFRZAS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide

2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide (PubChem CID 115260058) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
PubChem CID115260058
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
SMILESCC(C)c1ccc(CCNCC(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-10(2)12-5-3-11(4-6-12)7-8-15-9-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16)
InChIKeyFYAVUNUTWFRZAS-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.43
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

2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
CID 115260076
1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
CID 115234952
2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 115260110
2-[2-(4-fluorophenyl)ethylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101375
2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 115260140
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
2-[2-(4-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109002847
2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109000448
N-(hydrazinylmethyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115261061
4-[[2-(4-propan-2-ylphenyl)ethylamino]methyl]benzoic acid
CID 122030006
4-[(4-propan-2-ylphenyl)methylamino]butanamide
CID 60863561
2,2-dimethyl-4-[2-(4-propan-2-ylphenyl)ethylamino]butanoic acid
CID 122127310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide?
The IUPAC name of 2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide (CID 115260058) is 2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide.
What is the SMILES notation for 2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide?
The canonical SMILES for 2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide is CC(C)c1ccc(CCNCC(N)=O)cc1.
What is the InChIKey of 2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide?
The InChIKey is FYAVUNUTWFRZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)12-5-3-11(4-6-12)7-8-15-9-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide?
2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide has a molecular weight of 220.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide is sourced from PubChem (CID 115260058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).