ethyl N-(2,4,6-trimethylphenoxy)carbamate

C12H17NO3 — CID 102307292

IUPACethyl N-(2,4,6-trimethylphenoxy)carbamate
SMILESCCOC(=O)NOc1c(C)cc(C)cc1C
InChIInChI=1S/C12H17NO3/c1-5-15-12(14)13-16-11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyHXRSVUUTBHUQJI-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.65
Rot. Bonds3

About ethyl N-(2,4,6-trimethylphenoxy)carbamate

ethyl N-(2,4,6-trimethylphenoxy)carbamate (PubChem CID 102307292) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is ethyl N-(2,4,6-trimethylphenoxy)carbamate.

Molecular Properties

Compound Nameethyl N-(2,4,6-trimethylphenoxy)carbamate
PubChem CID102307292
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nameethyl N-(2,4,6-trimethylphenoxy)carbamate
SMILESCCOC(=O)NOc1c(C)cc(C)cc1C
InChIInChI=1S/C12H17NO3/c1-5-15-12(14)13-16-11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyHXRSVUUTBHUQJI-UHFFFAOYSA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate
CID 116819193
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8905347
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
CID 134847476
ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate
CID 63039988
ethyl (2,4,6-trimethylphenyl)sulfanylformate
CID 117035888
ethyl 2-chloro-2-(2-methoxy-3,5-dimethylphenyl)acetate
CID 116863130
ethyl N-[2-(2,6-dibromo-4-methylphenoxy)acetyl]carbamate
CID 8914727
N-(2-amino-2-methylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119628968
3-amino-3-(2-ethoxy-3,5-dimethylphenyl)propanoic acid
CID 4023553
ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,4,6-trimethylphenyl)propanoate
CID 170816762
(2,4,6-trimethylphenyl) N,N-diethylcarbamate
CID 122209777

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,4,6-trimethylphenoxy)carbamate?
The IUPAC name of ethyl N-(2,4,6-trimethylphenoxy)carbamate (CID 102307292) is ethyl N-(2,4,6-trimethylphenoxy)carbamate.
What is the SMILES notation for ethyl N-(2,4,6-trimethylphenoxy)carbamate?
The canonical SMILES for ethyl N-(2,4,6-trimethylphenoxy)carbamate is CCOC(=O)NOc1c(C)cc(C)cc1C.
What is the InChIKey of ethyl N-(2,4,6-trimethylphenoxy)carbamate?
The InChIKey is HXRSVUUTBHUQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-5-15-12(14)13-16-11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of ethyl N-(2,4,6-trimethylphenoxy)carbamate?
ethyl N-(2,4,6-trimethylphenoxy)carbamate has a molecular weight of 223.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,4,6-trimethylphenoxy)carbamate is sourced from PubChem (CID 102307292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).