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

C14H22N2O — CID 115260076

IUPAC2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
SMILESCCC(C)c1ccc(CCNCC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-3-11(2)13-6-4-12(5-7-13)8-9-16-10-14(15)17/h4-7,11,16H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyWDIXDONLOBFIBE-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.82
Rot. Bonds7

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

2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide (PubChem CID 115260076) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
PubChem CID115260076
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
SMILESCCC(C)c1ccc(CCNCC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-3-11(2)13-6-4-12(5-7-13)8-9-16-10-14(15)17/h4-7,11,16H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyWDIXDONLOBFIBE-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.82
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-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058
2-amino-3-[2-(4-butan-2-ylphenyl)ethylamino]propanoic acid
CID 115240826
4-[2-(4-butan-2-ylphenyl)ethylamino]butanoic acid
CID 115218703
2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261083
2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 115260110
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate
CID 115190710
N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide
CID 115162107
2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 115260140
1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
CID 115234952
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
2-amino-4-(4-butan-2-ylphenyl)butanoic acid
CID 112511842

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide?
The IUPAC name of 2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide (CID 115260076) is 2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide.
What is the SMILES notation for 2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide?
The canonical SMILES for 2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide is CCC(C)c1ccc(CCNCC(N)=O)cc1.
What is the InChIKey of 2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide?
The InChIKey is WDIXDONLOBFIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-11(2)13-6-4-12(5-7-13)8-9-16-10-14(15)17/h4-7,11,16H,3,8-10H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide?
2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide has a molecular weight of 234.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide is sourced from PubChem (CID 115260076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).