(2,4,6-trimethylphenyl)methylcarbamic acid

C11H15NO2 — CID 67124074

IUPAC(2,4,6-trimethylphenyl)methylcarbamic acid
SMILESCc1cc(C)c(CNC(=O)O)c(C)c1
InChIInChI=1S/C11H15NO2/c1-7-4-8(2)10(9(3)5-7)6-12-11(13)14/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeyNFGNJOKCNDHFHB-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.38
Rot. Bonds2

About (2,4,6-trimethylphenyl)methylcarbamic acid

(2,4,6-trimethylphenyl)methylcarbamic acid (PubChem CID 67124074) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl)methylcarbamic acid
PubChem CID67124074
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2,4,6-trimethylphenyl)methylcarbamic acid
SMILESCc1cc(C)c(CNC(=O)O)c(C)c1
InChIInChI=1S/C11H15NO2/c1-7-4-8(2)10(9(3)5-7)6-12-11(13)14/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeyNFGNJOKCNDHFHB-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-oxo-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115176374
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466
3-hydroxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 115139004
2-[(2,4,6-trimethylphenyl)methylamino]acetic acid
CID 43135215
2-amino-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 83540532
3-amino-4-oxo-4-[(2,4,6-trimethylphenyl)methylamino]butanoic acid
CID 115181303
N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158841
2-(hydroxymethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187295
2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187544
N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide
CID 47161409
1-[[(3S)-3-hydroxythiolan-3-yl]methyl]-3-[(2,4,6-trimethylphenyl)methyl]urea
CID 97003268
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride
CID 120985345

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl)methylcarbamic acid?
The IUPAC name of (2,4,6-trimethylphenyl)methylcarbamic acid (CID 67124074) is (2,4,6-trimethylphenyl)methylcarbamic acid.
What is the SMILES notation for (2,4,6-trimethylphenyl)methylcarbamic acid?
The canonical SMILES for (2,4,6-trimethylphenyl)methylcarbamic acid is Cc1cc(C)c(CNC(=O)O)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl)methylcarbamic acid?
The InChIKey is NFGNJOKCNDHFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-8(2)10(9(3)5-7)6-12-11(13)14/h4-5,12H,6H2,1-3H3,(H,13,14).
What are the key properties of (2,4,6-trimethylphenyl)methylcarbamic acid?
(2,4,6-trimethylphenyl)methylcarbamic acid has a molecular weight of 193.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl)methylcarbamic acid is sourced from PubChem (CID 67124074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).