[3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate

C16H22N2O2 — CID 10859886

IUPAC[3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate
SMILESC#CCN(C)CCc1cccc(OC(=O)N(C)CC)c1
InChIInChI=1S/C16H22N2O2/c1-5-11-17(3)12-10-14-8-7-9-15(13-14)20-16(19)18(4)6-2/h1,7-9,13H,6,10-12H2,2-4H3
InChIKeyNDPLWTXZPOCAPT-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.24
Rot. Bonds6

About [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate

[3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate (PubChem CID 10859886) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate
PubChem CID10859886
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate
SMILESC#CCN(C)CCc1cccc(OC(=O)N(C)CC)c1
InChIInChI=1S/C16H22N2O2/c1-5-11-17(3)12-10-14-8-7-9-15(13-14)20-16(19)18(4)6-2/h1,7-9,13H,6,10-12H2,2-4H3
InChIKeyNDPLWTXZPOCAPT-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate?
The IUPAC name of [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate (CID 10859886) is [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate is C#CCN(C)CCc1cccc(OC(=O)N(C)CC)c1.
What is the InChIKey of [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate?
The InChIKey is NDPLWTXZPOCAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-11-17(3)12-10-14-8-7-9-15(13-14)20-16(19)18(4)6-2/h1,7-9,13H,6,10-12H2,2-4H3.
What are the key properties of [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate?
[3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate has a molecular weight of 274.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 10859886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).