ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate

C19H21NO4 — CID 54333004

IUPACethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(C(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H21NO4/c1-3-23-19(22)20-12-13-24-16-10-8-15(9-11-16)18(21)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeySZQOGGWYRCEQDB-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.35
Rot. Bonds7

About ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate

ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate (PubChem CID 54333004) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate
PubChem CID54333004
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NCCOc1ccc(C(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H21NO4/c1-3-23-19(22)20-12-13-24-16-10-8-15(9-11-16)18(21)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeySZQOGGWYRCEQDB-UHFFFAOYSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.35
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

ethyl N-[1,2-bis[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate
CID 70584229
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
CID 39384704
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
ethyl N-[2-[4-(5-methylheptan-3-yloxy)phenoxy]ethyl]carbamate
CID 22158871
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948
ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 70378818
ethyl N-[2-(3-amino-4-phenoxyphenoxy)ethyl]carbamate
CID 101239228
ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate
CID 91288841
benzyl N-[2-(4-oxaldehydoylphenoxy)ethyl]carbamate
CID 19889127
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate (CID 54333004) is ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate is CCOC(=O)NCCOc1ccc(C(=O)c2ccccc2C)cc1.
What is the InChIKey of ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate?
The InChIKey is SZQOGGWYRCEQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-23-19(22)20-12-13-24-16-10-8-15(9-11-16)18(21)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate?
ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate has a molecular weight of 327.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate is sourced from PubChem (CID 54333004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).