(2,4,6-trimethylphenyl) N,N-diethylcarbamate

C14H21NO2 — CID 122209777

IUPAC(2,4,6-trimethylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c(C)cc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-6-15(7-2)14(16)17-13-11(4)8-10(3)9-12(13)5/h8-9H,6-7H2,1-5H3
InChIKeyFNBOQGFSCROBMD-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.45
Rot. Bonds3

About (2,4,6-trimethylphenyl) N,N-diethylcarbamate

(2,4,6-trimethylphenyl) N,N-diethylcarbamate (PubChem CID 122209777) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl) N,N-diethylcarbamate
PubChem CID122209777
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2,4,6-trimethylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1c(C)cc(C)cc1C
InChIInChI=1S/C14H21NO2/c1-6-15(7-2)14(16)17-13-11(4)8-10(3)9-12(13)5/h8-9H,6-7H2,1-5H3
InChIKeyFNBOQGFSCROBMD-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-4-methyl-6-methylsulfanylphenyl) N,N-diethylcarbamate
CID 11208352
(6-hydroxy-2,3-dimethylphenyl) N,N-diethylcarbamate
CID 135067853
diethyl-[1-oxo-1-(2,4,6-trimethylphenoxy)propan-2-yl]azanium chloride
CID 16580
(4-benzylphenyl) N,N-diethylcarbamate
CID 22414998
2-(diethylcarbamoyloxy)-4-formyl-3-methylbenzoic acid
CID 54463025
(2,6-dichloro-4-formyl-3-pyridinyl) N,N-diethylcarbamate
CID 57114957
(2,4,6-trimethylphenyl) 2-aminopropanoate
CID 77308441
(2,4,6-trimethylphenyl) (2S)-2-aminopropanoate
CID 67529614
ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate
CID 122517620
(4-butyl-2,6-dimethylphenyl) acetate
CID 66815406
4-(2,4,6-trimethylphenoxy)pent-4-enoic acid
CID 143069351
(3-formylphenyl) N,N-diethylcarbamate
CID 46832010

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl) N,N-diethylcarbamate?
The IUPAC name of (2,4,6-trimethylphenyl) N,N-diethylcarbamate (CID 122209777) is (2,4,6-trimethylphenyl) N,N-diethylcarbamate.
What is the SMILES notation for (2,4,6-trimethylphenyl) N,N-diethylcarbamate?
The canonical SMILES for (2,4,6-trimethylphenyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1c(C)cc(C)cc1C.
What is the InChIKey of (2,4,6-trimethylphenyl) N,N-diethylcarbamate?
The InChIKey is FNBOQGFSCROBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-6-15(7-2)14(16)17-13-11(4)8-10(3)9-12(13)5/h8-9H,6-7H2,1-5H3.
What are the key properties of (2,4,6-trimethylphenyl) N,N-diethylcarbamate?
(2,4,6-trimethylphenyl) N,N-diethylcarbamate has a molecular weight of 235.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl) N,N-diethylcarbamate is sourced from PubChem (CID 122209777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).