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

C15H20N2O2 — CID 11055573

IUPAC[3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate
SMILESC#CCN(C)CCc1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-5-10-17(4)11-9-13-7-6-8-14(12-13)19-15(18)16(2)3/h1,6-8,12H,9-11H2,2-4H3
InChIKeyXFPHEDHECANCFF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.85
Rot. Bonds5

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

[3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate (PubChem CID 11055573) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate
PubChem CID11055573
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate
SMILESC#CCN(C)CCc1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-5-10-17(4)11-9-13-7-6-8-14(12-13)19-15(18)16(2)3/h1,6-8,12H,9-11H2,2-4H3
InChIKeyXFPHEDHECANCFF-UHFFFAOYSA-N
XLogP1.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 77991
3-[1-(Dimethylamino)ethyl]phenyl ethyl(methyl)carbamate
CID 5077
[3-[1-(dimethylamino)ethyl]phenyl] N,N-dimethylcarbamate
CID 23645310
Phenol, 3-(1-(dimethylamino)ethyl)-, 1-(N-methylcarbamate)
CID 46093
3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N,N-dimethylcarbamate
CID 9904798
3-(2-Pyrrolidin-1-ylethyl)anisole
CID 18365007
3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N-hexyl-N-methylcarbamate
CID 10382902
3-{2-[methyl(prop-2-yn-1-yl)amino]ethyl}phenyl N-ethyl-N-methylcarbamate
CID 10859886
3-[2-(but-3-yn-2-ylamino)ethyl]phenyl N-ethyl-N-methylcarbamate
CID 10881476
3-[(2R)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phenyl N-cyclohexyl-N-methylcarbamate; methanesulfonic acid
CID 10915860
7-(prop-2-yn-1-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl N,N-dimethylcarbamate
CID 10924902
3-[2-(prop-2-yn-1-ylamino)ethyl]phenyl N-methyl-N-propylcarbamate
CID 10924975

Frequently Asked Questions

What is the IUPAC name of [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate (CID 11055573) is [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate is C#CCN(C)CCc1cccc(OC(=O)N(C)C)c1.
What is the InChIKey of [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is XFPHEDHECANCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-10-17(4)11-9-13-7-6-8-14(12-13)19-15(18)16(2)3/h1,6-8,12H,9-11H2,2-4H3.
What are the key properties of [3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate?
[3-[2-[methyl(prop-2-ynyl)amino]ethyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 260.34 g/mol, XLogP of 1.85, 5 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,N-dimethylcarbamate is sourced from PubChem (CID 11055573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).