methyl-(3,4,5-triethylphenyl)carbamic acid

C14H21NO2 — CID 151622553

IUPACmethyl-(3,4,5-triethylphenyl)carbamic acid
SMILESCCc1cc(N(C)C(=O)O)cc(CC)c1CC
InChIInChI=1S/C14H21NO2/c1-5-10-8-12(15(4)14(16)17)9-11(6-2)13(10)7-3/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyQOUWTVNPBJDRKX-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.49
Rot. Bonds4

About methyl-(3,4,5-triethylphenyl)carbamic acid

methyl-(3,4,5-triethylphenyl)carbamic acid (PubChem CID 151622553) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl-(3,4,5-triethylphenyl)carbamic acid.

Molecular Properties

Compound Namemethyl-(3,4,5-triethylphenyl)carbamic acid
PubChem CID151622553
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl-(3,4,5-triethylphenyl)carbamic acid
SMILESCCc1cc(N(C)C(=O)O)cc(CC)c1CC
InChIInChI=1S/C14H21NO2/c1-5-10-8-12(15(4)14(16)17)9-11(6-2)13(10)7-3/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyQOUWTVNPBJDRKX-UHFFFAOYSA-N
XLogP3.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl-(3,4,5-triethylphenyl)carbamic acid?
The IUPAC name of methyl-(3,4,5-triethylphenyl)carbamic acid (CID 151622553) is methyl-(3,4,5-triethylphenyl)carbamic acid.
What is the SMILES notation for methyl-(3,4,5-triethylphenyl)carbamic acid?
The canonical SMILES for methyl-(3,4,5-triethylphenyl)carbamic acid is CCc1cc(N(C)C(=O)O)cc(CC)c1CC.
What is the InChIKey of methyl-(3,4,5-triethylphenyl)carbamic acid?
The InChIKey is QOUWTVNPBJDRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-10-8-12(15(4)14(16)17)9-11(6-2)13(10)7-3/h8-9H,5-7H2,1-4H3,(H,16,17).
What are the key properties of methyl-(3,4,5-triethylphenyl)carbamic acid?
methyl-(3,4,5-triethylphenyl)carbamic acid has a molecular weight of 235.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3,4,5-triethylphenyl)carbamic acid is sourced from PubChem (CID 151622553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).