ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate

C18H22N2O2 — CID 162653135

IUPACethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1cccc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-5-22-18(21)20(4)17-8-6-7-15(13-17)14-9-11-16(12-10-14)19(2)3/h6-13H,5H2,1-4H3
InChIKeyJEJAOIXTZYFZFJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.01
Rot. Bonds4

About ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate

ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate (PubChem CID 162653135) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate
PubChem CID162653135
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nameethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1cccc(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-5-22-18(21)20(4)17-8-6-7-15(13-17)14-9-11-16(12-10-14)19(2)3/h6-13H,5H2,1-4H3
InChIKeyJEJAOIXTZYFZFJ-UHFFFAOYSA-N
XLogP4.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate (CID 162653135) is ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate is CCOC(=O)N(C)c1cccc(-c2ccc(N(C)C)cc2)c1.
What is the InChIKey of ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate?
The InChIKey is JEJAOIXTZYFZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-5-22-18(21)20(4)17-8-6-7-15(13-17)14-9-11-16(12-10-14)19(2)3/h6-13H,5H2,1-4H3.
What are the key properties of ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate?
ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate has a molecular weight of 298.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[4-(dimethylamino)phenyl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 162653135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).