[4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate

C20H28N2O3S — CID 68819657

IUPAC[4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate
SMILESCc1csc(OCCC(c2ccc(OC(=O)N(C)C)c(C)c2)N(C)C)c1
InChIInChI=1S/C20H28N2O3S/c1-14-11-19(26-13-14)24-10-9-17(21(3)4)16-7-8-18(15(2)12-16)25-20(23)22(5)6/h7-8,11-13,17H,9-10H2,1-6H3
InChIKeyPYJNTPCUWFLLDP-UHFFFAOYSA-N
MW376.52 g/mol
LogP4.50
Rot. Bonds7

About [4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate

[4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate (PubChem CID 68819657) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is [4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate
PubChem CID68819657
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name[4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate
SMILESCc1csc(OCCC(c2ccc(OC(=O)N(C)C)c(C)c2)N(C)C)c1
InChIInChI=1S/C20H28N2O3S/c1-14-11-19(26-13-14)24-10-9-17(21(3)4)16-7-8-18(15(2)12-16)25-20(23)22(5)6/h7-8,11-13,17H,9-10H2,1-6H3
InChIKeyPYJNTPCUWFLLDP-UHFFFAOYSA-N
XLogP4.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-(dimethylamino)-3-(2,3,4-trifluorophenoxy)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68872755
[2-methyl-4-[(1R)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68818934
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
[(1R)-2-methyl-1-[2-(4-methylthiophen-2-yl)oxyethyl]-1,3-dihydro-2-benzazepin-7-yl] N,N-dimethylcarbamate;hydrochloride
CID 68818938
3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83928505
(2-bromo-4-methylphenyl) N,N-dimethylcarbamate
CID 125485280
2-(7-methoxy-3,7-dimethyloctoxy)-4-methylthiophene
CID 70608743
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83935225
5-(dimethylamino)-5-(4-ethoxy-3-fluorophenyl)pentan-2-one
CID 116910641
3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83926098
[4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate
CID 25050115

Frequently Asked Questions

What is the IUPAC name of [4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate (CID 68819657) is [4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate is Cc1csc(OCCC(c2ccc(OC(=O)N(C)C)c(C)c2)N(C)C)c1.
What is the InChIKey of [4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate?
The InChIKey is PYJNTPCUWFLLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-14-11-19(26-13-14)24-10-9-17(21(3)4)16-7-8-18(15(2)12-16)25-20(23)22(5)6/h7-8,11-13,17H,9-10H2,1-6H3.
What are the key properties of [4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate?
[4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate has a molecular weight of 376.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(dimethylamino)-3-(4-methylthiophen-2-yl)oxypropyl]-2-methylphenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 68819657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).