methyl N-[4-(2-methoxyethoxy)phenyl]carbamate

C11H15NO4 — CID 110777023

IUPACmethyl N-[4-(2-methoxyethoxy)phenyl]carbamate
SMILESCOCCOc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C11H15NO4/c1-14-7-8-16-10-5-3-9(4-6-10)12-11(13)15-2/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyUOAQWFJMRRZWOW-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.89
Rot. Bonds5

About methyl N-[4-(2-methoxyethoxy)phenyl]carbamate

methyl N-[4-(2-methoxyethoxy)phenyl]carbamate (PubChem CID 110777023) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl N-[4-(2-methoxyethoxy)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(2-methoxyethoxy)phenyl]carbamate
PubChem CID110777023
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl N-[4-(2-methoxyethoxy)phenyl]carbamate
SMILESCOCCOc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C11H15NO4/c1-14-7-8-16-10-5-3-9(4-6-10)12-11(13)15-2/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyUOAQWFJMRRZWOW-UHFFFAOYSA-N
XLogP1.89
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
methyl N-[4-(3,3-dimethoxypropoxy)phenyl]carbamate
CID 58941158
methyl 3-[4-(2-methoxyethoxy)anilino]-3-oxopropanoate
CID 28638031
methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate
CID 110459527
N-[4-(2-methoxyethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119723419
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
methyl N-[4-(7,7-dichloroheptoxy)phenyl]carbamate
CID 67275580
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-[4-(2-methoxyethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 46441939
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(2-methoxyethoxy)phenyl]carbamate?
The IUPAC name of methyl N-[4-(2-methoxyethoxy)phenyl]carbamate (CID 110777023) is methyl N-[4-(2-methoxyethoxy)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(2-methoxyethoxy)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(2-methoxyethoxy)phenyl]carbamate is COCCOc1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-(2-methoxyethoxy)phenyl]carbamate?
The InChIKey is UOAQWFJMRRZWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-14-7-8-16-10-5-3-9(4-6-10)12-11(13)15-2/h3-6H,7-8H2,1-2H3,(H,12,13).
What are the key properties of methyl N-[4-(2-methoxyethoxy)phenyl]carbamate?
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate has a molecular weight of 225.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(2-methoxyethoxy)phenyl]carbamate is sourced from PubChem (CID 110777023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).