ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate

C18H21N3O3 — CID 47039610

IUPACethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-2-24-18(23)21-16-10-8-15(9-11-16)20-17(22)19-13-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,21,23)(H2,19,20,22)
InChIKeyOHTKGVKTFQYFOZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.62
Rot. Bonds6

About ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate

ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate (PubChem CID 47039610) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
PubChem CID47039610
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Nameethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-2-24-18(23)21-16-10-8-15(9-11-16)20-17(22)19-13-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,21,23)(H2,19,20,22)
InChIKeyOHTKGVKTFQYFOZ-UHFFFAOYSA-N
XLogP3.62
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 60586505
ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
CID 108900678
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
ethyl 4-[2-(4-ethoxyphenyl)ethylcarbamoylamino]benzoate
CID 3740892
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
CID 112984125
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate (CID 47039610) is ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate?
The InChIKey is OHTKGVKTFQYFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-24-18(23)21-16-10-8-15(9-11-16)20-17(22)19-13-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,21,23)(H2,19,20,22).
What are the key properties of ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate?
ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate has a molecular weight of 327.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate is sourced from PubChem (CID 47039610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).