N-[(2-tert-butylphenyl)methyl]acetamide

C13H19NO — CID 89458599

IUPACN-[(2-tert-butylphenyl)methyl]acetamide
SMILESCC(=O)NCc1ccccc1C(C)(C)C
InChIInChI=1S/C13H19NO/c1-10(15)14-9-11-7-5-6-8-12(11)13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyIEVNYXSLBQZBII-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.62
Rot. Bonds2

About N-[(2-tert-butylphenyl)methyl]acetamide

N-[(2-tert-butylphenyl)methyl]acetamide (PubChem CID 89458599) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(2-tert-butylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-tert-butylphenyl)methyl]acetamide
PubChem CID89458599
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(2-tert-butylphenyl)methyl]acetamide
SMILESCC(=O)NCc1ccccc1C(C)(C)C
InChIInChI=1S/C13H19NO/c1-10(15)14-9-11-7-5-6-8-12(11)13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyIEVNYXSLBQZBII-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
1-(2-tert-butylphenyl)-N-iodomethanamine
CID 166969969
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[[2-(sulfanylmethyl)phenyl]methyl]acetamide
CID 145293797
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
bis[2-(2-tert-butylphenyl)ethyl] carbonate
CID 67162129
N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112997518
N-[(2-tert-butyl-1H-indol-7-yl)methyl]acetamide
CID 91410373
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
methyl 4-(2-tert-butylphenyl)butanoate
CID 158714084

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylphenyl)methyl]acetamide?
The IUPAC name of N-[(2-tert-butylphenyl)methyl]acetamide (CID 89458599) is N-[(2-tert-butylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-tert-butylphenyl)methyl]acetamide?
The canonical SMILES for N-[(2-tert-butylphenyl)methyl]acetamide is CC(=O)NCc1ccccc1C(C)(C)C.
What is the InChIKey of N-[(2-tert-butylphenyl)methyl]acetamide?
The InChIKey is IEVNYXSLBQZBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(15)14-9-11-7-5-6-8-12(11)13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15).
What are the key properties of N-[(2-tert-butylphenyl)methyl]acetamide?
N-[(2-tert-butylphenyl)methyl]acetamide has a molecular weight of 205.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butylphenyl)methyl]acetamide is sourced from PubChem (CID 89458599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).