2-ethoxyethyl N-(4-methylphenyl)carbamate

C12H17NO3 — CID 4614670

IUPAC2-ethoxyethyl N-(4-methylphenyl)carbamate
SMILESCCOCCOC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H17NO3/c1-3-15-8-9-16-12(14)13-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyQMIOFDKIBZZJLH-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.58
Rot. Bonds5

About 2-ethoxyethyl N-(4-methylphenyl)carbamate

2-ethoxyethyl N-(4-methylphenyl)carbamate (PubChem CID 4614670) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-ethoxyethyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name2-ethoxyethyl N-(4-methylphenyl)carbamate
PubChem CID4614670
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-ethoxyethyl N-(4-methylphenyl)carbamate
SMILESCCOCCOC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H17NO3/c1-3-15-8-9-16-12(14)13-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyQMIOFDKIBZZJLH-UHFFFAOYSA-N
XLogP2.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl N-phenylcarbamate
CID 4101389
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate
CID 70810353
2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyloxy]ethyl 2,2-dimethylpropanoate
CID 163646183
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
amino N-(4-methylphenyl)carbamate
CID 22737872
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N-(4-methylphenyl)carbamate?
The IUPAC name of 2-ethoxyethyl N-(4-methylphenyl)carbamate (CID 4614670) is 2-ethoxyethyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for 2-ethoxyethyl N-(4-methylphenyl)carbamate?
The canonical SMILES for 2-ethoxyethyl N-(4-methylphenyl)carbamate is CCOCCOC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-ethoxyethyl N-(4-methylphenyl)carbamate?
The InChIKey is QMIOFDKIBZZJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-15-8-9-16-12(14)13-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-ethoxyethyl N-(4-methylphenyl)carbamate?
2-ethoxyethyl N-(4-methylphenyl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 4614670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).