[3-(diethylamino)phenyl] N-methylcarbamate

C12H18N2O2 — CID 17515

IUPAC[3-(diethylamino)phenyl] N-methylcarbamate
SMILESCCN(CC)c1cccc(OC(=O)NC)c1
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)10-7-6-8-11(9-10)16-12(15)13-3/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKeyCZZWOJXFCKBYNE-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.25
Rot. Bonds4

About [3-(diethylamino)phenyl] N-methylcarbamate

[3-(diethylamino)phenyl] N-methylcarbamate (PubChem CID 17515) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [3-(diethylamino)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(diethylamino)phenyl] N-methylcarbamate
PubChem CID17515
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[3-(diethylamino)phenyl] N-methylcarbamate
SMILESCCN(CC)c1cccc(OC(=O)NC)c1
InChIInChI=1S/C12H18N2O2/c1-4-14(5-2)10-7-6-8-11(9-10)16-12(15)13-3/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKeyCZZWOJXFCKBYNE-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)phenyl] N-methylcarbamate?
The IUPAC name of [3-(diethylamino)phenyl] N-methylcarbamate (CID 17515) is [3-(diethylamino)phenyl] N-methylcarbamate.
What is the SMILES notation for [3-(diethylamino)phenyl] N-methylcarbamate?
The canonical SMILES for [3-(diethylamino)phenyl] N-methylcarbamate is CCN(CC)c1cccc(OC(=O)NC)c1.
What is the InChIKey of [3-(diethylamino)phenyl] N-methylcarbamate?
The InChIKey is CZZWOJXFCKBYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(5-2)10-7-6-8-11(9-10)16-12(15)13-3/h6-9H,4-5H2,1-3H3,(H,13,15).
What are the key properties of [3-(diethylamino)phenyl] N-methylcarbamate?
[3-(diethylamino)phenyl] N-methylcarbamate has a molecular weight of 222.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)phenyl] N-methylcarbamate is sourced from PubChem (CID 17515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).