tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate

C14H21NO3 — CID 102052832

IUPACtert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
SMILESCC(O)CN(C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(16)10-15(12-8-6-5-7-9-12)13(17)18-14(2,3)4/h5-9,11,16H,10H2,1-4H3
InChIKeyHXGXWNVHNZZNLE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate

tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate (PubChem CID 102052832) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
PubChem CID102052832
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
SMILESCC(O)CN(C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-11(16)10-15(12-8-6-5-7-9-12)13(17)18-14(2,3)4/h5-9,11,16H,10H2,1-4H3
InChIKeyHXGXWNVHNZZNLE-UHFFFAOYSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
tert-butyl N-(2-hydroxypropyl)-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 107257059
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid;oxane
CID 70374539
tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine
CID 174804063
3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid
CID 62338366
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
CID 67539980
tert-butyl N-phenyl-N-(trifluoromethyl)carbamate
CID 69487497
tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate
CID 67725390

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate?
The IUPAC name of tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate (CID 102052832) is tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate?
The canonical SMILES for tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate is CC(O)CN(C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate?
The InChIKey is HXGXWNVHNZZNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(16)10-15(12-8-6-5-7-9-12)13(17)18-14(2,3)4/h5-9,11,16H,10H2,1-4H3.
What are the key properties of tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate?
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate has a molecular weight of 251.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate is sourced from PubChem (CID 102052832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).