ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate

C19H22N2O4 — CID 30011225

IUPACethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)Nc2ccccc2CC)c1
InChIInChI=1S/C19H22N2O4/c1-3-14-8-5-6-11-17(14)21-18(22)13-25-16-10-7-9-15(12-16)20-19(23)24-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOVAFVBPVRLSLMA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.83
Rot. Bonds7

About ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate

ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate (PubChem CID 30011225) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate
PubChem CID30011225
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)Nc2ccccc2CC)c1
InChIInChI=1S/C19H22N2O4/c1-3-14-8-5-6-11-17(14)21-18(22)13-25-16-10-7-9-15(12-16)20-19(23)24-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyOVAFVBPVRLSLMA-UHFFFAOYSA-N
XLogP3.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate
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ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate (CID 30011225) is ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate is CCOC(=O)Nc1cccc(OCC(=O)Nc2ccccc2CC)c1.
What is the InChIKey of ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate?
The InChIKey is OVAFVBPVRLSLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-14-8-5-6-11-17(14)21-18(22)13-25-16-10-7-9-15(12-16)20-19(23)24-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate?
ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate is sourced from PubChem (CID 30011225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).