carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate

C12H18N2O4 — CID 175063569

IUPACcarbamic acid;(2,4,6-trimethylphenyl)methyl carbamate
SMILESCc1cc(C)c(COC(N)=O)c(C)c1.NC(=O)O
InChIInChI=1S/C11H15NO2.CH3NO2/c1-7-4-8(2)10(9(3)5-7)6-14-11(12)13;2-1(3)4/h4-5H,6H2,1-3H3,(H2,12,13);2H2,(H,3,4)
InChIKeyLADSYQKLGYUILD-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.83
Rot. Bonds2

About carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate

carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate (PubChem CID 175063569) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate.

Molecular Properties

Compound Namecarbamic acid;(2,4,6-trimethylphenyl)methyl carbamate
PubChem CID175063569
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namecarbamic acid;(2,4,6-trimethylphenyl)methyl carbamate
SMILESCc1cc(C)c(COC(N)=O)c(C)c1.NC(=O)O
InChIInChI=1S/C11H15NO2.CH3NO2/c1-7-4-8(2)10(9(3)5-7)6-14-11(12)13;2-1(3)4/h4-5H,6H2,1-3H3,(H2,12,13);2H2,(H,3,4)
InChIKeyLADSYQKLGYUILD-UHFFFAOYSA-N
XLogP1.83
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4,6-trimethylphenyl)methyl butanoate
CID 172847723
(2,4,6-trimethylphenyl)methyl (2S)-2-amino-4-methylpentanoate
CID 94275984
2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate
CID 86787902
(2,4,6-trimethylphenyl)methyl 3-amino-4-methylbenzoate
CID 63450626
(2,4,6-trimethylphenyl)methyl 3-aminobenzoate
CID 62548298
(2,4,6-trimethylphenyl)methyl 5-amino-2-chlorobenzoate
CID 62548299
3-amino-2-methyl-3-oxo-2-[(2,4,6-trimethylphenyl)methyl]propanoic acid
CID 114899950
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
(2,4,6-trimethylphenyl)methyl 4-formylpiperazine-1-carboxylate
CID 87851965
2-ethoxycarbonyl-2-[(2,4,6-trimethylphenyl)methyl]butanoic acid
CID 103974375
2-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]acetic acid
CID 80722666
(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 62548645

Frequently Asked Questions

What is the IUPAC name of carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate?
The IUPAC name of carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate (CID 175063569) is carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate.
What is the SMILES notation for carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate?
The canonical SMILES for carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate is Cc1cc(C)c(COC(N)=O)c(C)c1.NC(=O)O.
What is the InChIKey of carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate?
The InChIKey is LADSYQKLGYUILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.CH3NO2/c1-7-4-8(2)10(9(3)5-7)6-14-11(12)13;2-1(3)4/h4-5H,6H2,1-3H3,(H2,12,13);2H2,(H,3,4).
What are the key properties of carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate?
carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate has a molecular weight of 254.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;(2,4,6-trimethylphenyl)methyl carbamate is sourced from PubChem (CID 175063569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).