2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate

C14H20N2O3 — CID 86787902

IUPAC2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate
SMILESCc1cc(C)c(CC(=O)NCCOC(N)=O)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-9-6-10(2)12(11(3)7-9)8-13(17)16-4-5-19-14(15)18/h6-7H,4-5,8H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyXSQQECQLNKPROJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.37
Rot. Bonds5

About 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate

2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate (PubChem CID 86787902) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate
PubChem CID86787902
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate
SMILESCc1cc(C)c(CC(=O)NCCOC(N)=O)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-9-6-10(2)12(11(3)7-9)8-13(17)16-4-5-19-14(15)18/h6-7H,4-5,8H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyXSQQECQLNKPROJ-UHFFFAOYSA-N
XLogP1.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-(2,4,6-trimethylphenyl)acetamide
CID 139860051
2-[[2-[4-(aminomethyl)phenyl]acetyl]amino]ethyl carbamate
CID 83202715
2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 86787888
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 122159315
methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 129358755
carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate
CID 175063569
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844
2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
CID 83203375
2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 120528979
N',N'-dimethyl-2-(2,4,6-trimethylphenyl)acetohydrazide
CID 116847434
2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328
2-[(2,5-dimethylphenyl)methylamino]ethyl carbamate
CID 83210925

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate (CID 86787902) is 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate is Cc1cc(C)c(CC(=O)NCCOC(N)=O)c(C)c1.
What is the InChIKey of 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate?
The InChIKey is XSQQECQLNKPROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-6-10(2)12(11(3)7-9)8-13(17)16-4-5-19-14(15)18/h6-7H,4-5,8H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate?
2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate is sourced from PubChem (CID 86787902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).