2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate

C13H19NO4 — CID 140960691

IUPAC2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate
SMILESCc1cc(C)cc(NC(=O)OCCOCCO)c1
InChIInChI=1S/C13H19NO4/c1-10-7-11(2)9-12(8-10)14-13(16)18-6-5-17-4-3-15/h7-9,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyGWUBQSONAQOPOM-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.86
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate

2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate (PubChem CID 140960691) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate
PubChem CID140960691
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate
SMILESCc1cc(C)cc(NC(=O)OCCOCCO)c1
InChIInChI=1S/C13H19NO4/c1-10-7-11(2)9-12(8-10)14-13(16)18-6-5-17-4-3-15/h7-9,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyGWUBQSONAQOPOM-UHFFFAOYSA-N
XLogP1.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate
CID 167635095
2-methoxyethyl N-(3,5-diaminophenyl)carbamate
CID 151276673
2-ethoxyethyl N-(4-methylphenyl)carbamate
CID 4614670
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 79346258
2-(2-hydroxyethoxy)ethyl 4-amino-3-methylbenzoate
CID 61321259
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
4-(4-hydroxybutoxy)butyl N-(3,5-ditert-butyl-4-hydroxyphenyl)carbamate
CID 88599842
2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate
CID 79349658
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate (CID 140960691) is 2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate is Cc1cc(C)cc(NC(=O)OCCOCCO)c1.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate?
The InChIKey is GWUBQSONAQOPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10-7-11(2)9-12(8-10)14-13(16)18-6-5-17-4-3-15/h7-9,15H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate?
2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate has a molecular weight of 253.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate is sourced from PubChem (CID 140960691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).