[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate

C14H22N2O2 — CID 10777494

IUPAC[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate
SMILES[2H]C([2H])([2H])N([C@@H](C)c1cccc(OC(=O)N(C)CC)c1)C([2H])([2H])[2H]
InChIInChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1/i3D3,4D3
InChIKeyXSVMFMHYUFZWBK-HUQNHLMMSA-N
MW256.38 g/mol
LogP2.76
Rot. Bonds6

About [3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate

[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate (PubChem CID 10777494) has the molecular formula C14H22N2O2 and a molecular weight of 256.38 g/mol. Its IUPAC name is [3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate
PubChem CID10777494
Molecular FormulaC14H22N2O2
Molecular Weight256.38 g/mol
Exact Mass256.21
IUPAC Name[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate
SMILES[2H]C([2H])([2H])N([C@@H](C)c1cccc(OC(=O)N(C)CC)c1)C([2H])([2H])[2H]
InChIInChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1/i3D3,4D3
InChIKeyXSVMFMHYUFZWBK-HUQNHLMMSA-N
XLogP2.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1S)-1-[methyl(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate;hydrochloride
CID 171391643
[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate;hydron
CID 23160019
2,3-dihydroxybutanedioic acid;[3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 14254240
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N,N-bis(trideuteriomethyl)carbamate
CID 169437716
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
CID 117069146
[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethylcarbamate
CID 169440124
[3-[(1R)-1-(dimethylamino)ethyl]phenyl] acetate
CID 59825274
2-[1-[3-[ethyl(methyl)carbamoyl]oxyphenyl]ethoxycarbonyl]benzoic acid
CID 146474491
(3-propan-2-ylphenyl) N-(2-amino-2-oxoethyl)-N-methylcarbamate
CID 59994554
[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate
CID 74428300
[3-[(1S)-1-(dimethylamino)(114C)ethyl]phenyl] N-ethyl-N-methylcarbamate
CID 10848426
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]carbamate
CID 25175645

Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate?
The IUPAC name of [3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate (CID 10777494) is [3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate is [2H]C([2H])([2H])N([C@@H](C)c1cccc(OC(=O)N(C)CC)c1)C([2H])([2H])[2H].
What is the InChIKey of [3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate?
The InChIKey is XSVMFMHYUFZWBK-HUQNHLMMSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1/i3D3,4D3.
What are the key properties of [3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate?
[3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate has a molecular weight of 256.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-[bis(trideuteriomethyl)amino]ethyl]phenyl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 10777494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).