2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid

C12H17NO2 — CID 115171227

IUPAC2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
SMILESCc1ccc(CCN(C)C(=O)O)c(C)c1
InChIInChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)6-7-13(3)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyRRNULKNZUGPQLI-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.46
Rot. Bonds3

About 2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid

2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid (PubChem CID 115171227) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
PubChem CID115171227
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
SMILESCc1ccc(CCN(C)C(=O)O)c(C)c1
InChIInChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)6-7-13(3)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyRRNULKNZUGPQLI-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176598
N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide
CID 115186751
4-(2,4-dimethylphenyl)-2-oxobutanoic acid
CID 57302764
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161721
4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
CID 115156481
2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
CID 166117253
4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid
CID 115123138
amino-[(2,4-dimethylphenyl)methyl]carbamic acid
CID 149436785
2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 82127686
(2S)-3-[3-(2,4-dimethylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 97324500
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695476

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid?
The IUPAC name of 2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid (CID 115171227) is 2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid.
What is the SMILES notation for 2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid?
The canonical SMILES for 2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid is Cc1ccc(CCN(C)C(=O)O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid?
The InChIKey is RRNULKNZUGPQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)6-7-13(3)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid?
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid has a molecular weight of 207.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid is sourced from PubChem (CID 115171227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).