[4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate

C17H26N2O5 — CID 90918476

IUPAC[4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc([C@H](CCO)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O5/c1-17(2,3)24-15(21)18-14(10-11-20)12-6-8-13(9-7-12)23-16(22)19(4)5/h6-9,14,20H,10-11H2,1-5H3,(H,18,21)/t14-/m0/s1
InChIKeyYNOAPRXYDFSWJS-AWEZNQCLSA-N
MW338.40 g/mol
LogP2.70
Rot. Bonds5

About [4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate

[4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate (PubChem CID 90918476) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is [4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
PubChem CID90918476
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name[4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc([C@H](CCO)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H26N2O5/c1-17(2,3)24-15(21)18-14(10-11-20)12-6-8-13(9-7-12)23-16(22)19(4)5/h6-9,14,20H,10-11H2,1-5H3,(H,18,21)/t14-/m0/s1
InChIKeyYNOAPRXYDFSWJS-AWEZNQCLSA-N
XLogP2.70
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate with MolForge

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Related Compounds

[4-[1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxypropyl]phenyl] N,N-dimethylcarbamate
CID 68819415
[3-[3-(4-fluorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 90820092
tert-butyl N-[(1S)-1-(3,4-dichlorophenyl)-3-hydroxypropyl]carbamate
CID 27281740
[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate
CID 135073898
tert-butyl N-[(1R)-2-hydroxy-1-(4-methylsulfanylphenyl)ethyl]carbamate
CID 142503477
tert-butyl N-[(1R)-1-[4-(fluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
CID 135263500
[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 10860245
[3-hydroxy-4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfanylphenoxy)propyl]phenyl] N,N-dimethylcarbamate
CID 90814167
tert-butyl N-[(1R)-1-(4-bromophenyl)-4,5-dihydroxypentyl]carbamate
CID 122432663
tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate
CID 146633642
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
3-[4-(dimethylcarbamoyloxy)-2-(methoxymethoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 68819983

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate (CID 90918476) is [4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc([C@H](CCO)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of [4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is YNOAPRXYDFSWJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-17(2,3)24-15(21)18-14(10-11-20)12-6-8-13(9-7-12)23-16(22)19(4)5/h6-9,14,20H,10-11H2,1-5H3,(H,18,21)/t14-/m0/s1.
What are the key properties of [4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate?
[4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 338.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 90918476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).