2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide

C15H24N2O — CID 94689627

IUPAC2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1ccc(C(C)(C)C)cc1)C(=O)CN
InChIInChI=1S/C15H24N2O/c1-15(2,3)13-7-5-12(6-8-13)9-10-17(4)14(18)11-16/h5-8H,9-11,16H2,1-4H3
InChIKeyJTNVJMNXJUVAMX-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.94
Rot. Bonds4

About 2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide

2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide (PubChem CID 94689627) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide
PubChem CID94689627
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide
SMILESCN(CCc1ccc(C(C)(C)C)cc1)C(=O)CN
InChIInChI=1S/C15H24N2O/c1-15(2,3)13-7-5-12(6-8-13)9-10-17(4)14(18)11-16/h5-8H,9-11,16H2,1-4H3
InChIKeyJTNVJMNXJUVAMX-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195005
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001538
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol
CID 115217119
2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
CID 119298042
N-[2-(4-ethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176585
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide
CID 39360756
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
CID 10083475

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide (CID 94689627) is 2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide is CN(CCc1ccc(C(C)(C)C)cc1)C(=O)CN.
What is the InChIKey of 2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide?
The InChIKey is JTNVJMNXJUVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)13-7-5-12(6-8-13)9-10-17(4)14(18)11-16/h5-8H,9-11,16H2,1-4H3.
What are the key properties of 2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide?
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide has a molecular weight of 248.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 94689627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).