2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide

C16H26N2O — CID 115260120

IUPAC2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNCC(N)=O
InChIInChI=1S/C16H26N2O/c1-11-8-13(16(3,4)5)9-12(2)14(11)6-7-18-10-15(17)19/h8-9,18H,6-7,10H2,1-5H3,(H2,17,19)
InChIKeyFFJCLYYCYQEMTN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.22
Rot. Bonds5

About 2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide

2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide (PubChem CID 115260120) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide
PubChem CID115260120
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNCC(N)=O
InChIInChI=1S/C16H26N2O/c1-11-8-13(16(3,4)5)9-12(2)14(11)6-7-18-10-15(17)19/h8-9,18H,6-7,10H2,1-5H3,(H2,17,19)
InChIKeyFFJCLYYCYQEMTN-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.22
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-(2,4,5-Trimethylbenzyl)-acetamide
CID 295549
2-(diethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 846518
Acetamide, 2-(propylamino)-N-(alpha,alpha,p-trimethylbenzyl)-
CID 33351
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 45842773
2-(2-Phenylethylamino)acetamide
CID 10631167
[(1R)-1-[[2-[but-2-ynoyl(propyl)amino]acetyl]amino]-2-(2,4-dimethylphenyl)ethyl]boronic acid
CID 140880219
[(1R)-2-(2,4-dimethylphenyl)-1-[[2-[ethyl(2-methylprop-2-enoyl)amino]acetyl]amino]ethyl]boronic acid
CID 140880220
[(1R)-1-[[2-[methyl(prop-2-enoyl)amino]acetyl]amino]-2-(2,3,4-trimethylphenyl)ethyl]boronic acid
CID 140880231
[(1R)-1-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]-2-(2,3,4-trimethylphenyl)ethyl]boronic acid
CID 140880232
[(1R)-1-[[2-[but-2-ynoyl(methyl)amino]acetyl]amino]-2-(2,4-dimethylphenyl)ethyl]boronic acid
CID 140880237
[(1R)-2-(2,4-dimethylphenyl)-1-[[2-[methyl(prop-2-enoyl)amino]acetyl]amino]ethyl]boronic acid
CID 140880243
[(1R)-2-(2,4-dimethylphenyl)-1-[[2-[ethyl(3-methylbut-2-enoyl)amino]acetyl]amino]ethyl]boronic acid
CID 140880271

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide?
The IUPAC name of 2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide (CID 115260120) is 2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide.
What is the SMILES notation for 2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide?
The canonical SMILES for 2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide is Cc1cc(C(C)(C)C)cc(C)c1CCNCC(N)=O.
What is the InChIKey of 2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide?
The InChIKey is FFJCLYYCYQEMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-8-13(16(3,4)5)9-12(2)14(11)6-7-18-10-15(17)19/h8-9,18H,6-7,10H2,1-5H3,(H2,17,19).
What are the key properties of 2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide?
2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide is sourced from PubChem (CID 115260120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).