[1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid

C19H21FN2O5 — CID 68821193

IUPAC[1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid
SMILESCN(C)C(=O)Oc1cccc(C(CCOc2ccc(F)cc2)NC(=O)O)c1
InChIInChI=1S/C19H21FN2O5/c1-22(2)19(25)27-16-5-3-4-13(12-16)17(21-18(23)24)10-11-26-15-8-6-14(20)7-9-15/h3-9,12,17,21H,10-11H2,1-2H3,(H,23,24)
InChIKeyAALXECMKOWMVHF-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.66
Rot. Bonds7

About [1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid

[1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid (PubChem CID 68821193) has the molecular formula C19H21FN2O5 and a molecular weight of 376.38 g/mol. Its IUPAC name is [1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid.

Molecular Properties

Compound Name[1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid
PubChem CID68821193
Molecular FormulaC19H21FN2O5
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name[1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid
SMILESCN(C)C(=O)Oc1cccc(C(CCOc2ccc(F)cc2)NC(=O)O)c1
InChIInChI=1S/C19H21FN2O5/c1-22(2)19(25)27-16-5-3-4-13(12-16)17(21-18(23)24)10-11-26-15-8-6-14(20)7-9-15/h3-9,12,17,21H,10-11H2,1-2H3,(H,23,24)
InChIKeyAALXECMKOWMVHF-UHFFFAOYSA-N
XLogP3.66
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-(4-fluorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 90820092
[3-[(1S)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate
CID 68818905
[4-[1-(methylamino)-3-phenoxypropyl]phenyl] N,N-dimethylcarbamate
CID 25050115
[4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate
CID 68819436
[4-[(1S)-3-(3,4-difluorophenoxy)-1-(methylamino)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68819435
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
[3-[(1R)-1-(methylamino)ethyl]phenyl] N,N-dimethylcarbamate
CID 97103071
[3-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N,N-dimethylcarbamate
CID 50924219
2-[3-[2-(4-fluorophenoxy)ethoxy]phenyl]-N-hydroxy-2-phenylacetamide
CID 135320414
[3-hydroxy-4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfanylphenoxy)propyl]phenyl] N,N-dimethylcarbamate
CID 90814167
[4-[(1R)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate;hydrochloride
CID 68818703
2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide
CID 110627301

Frequently Asked Questions

What is the IUPAC name of [1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid?
The IUPAC name of [1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid (CID 68821193) is [1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid.
What is the SMILES notation for [1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid?
The canonical SMILES for [1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid is CN(C)C(=O)Oc1cccc(C(CCOc2ccc(F)cc2)NC(=O)O)c1.
What is the InChIKey of [1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid?
The InChIKey is AALXECMKOWMVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5/c1-22(2)19(25)27-16-5-3-4-13(12-16)17(21-18(23)24)10-11-26-15-8-6-14(20)7-9-15/h3-9,12,17,21H,10-11H2,1-2H3,(H,23,24).
What are the key properties of [1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid?
[1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid has a molecular weight of 376.38 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(dimethylcarbamoyloxy)phenyl]-3-(4-fluorophenoxy)propyl]carbamic acid is sourced from PubChem (CID 68821193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).