tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate

C15H23NO3 — CID 125116625

IUPACtert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate
SMILESCCCCN(C(=O)OC(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C15H23NO3/c1-5-6-10-16(14(18)19-15(2,3)4)12-8-7-9-13(17)11-12/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyVDCRWFFWNCALOS-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.93
Rot. Bonds4

About tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate

tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate (PubChem CID 125116625) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate
PubChem CID125116625
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate
SMILESCCCCN(C(=O)OC(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C15H23NO3/c1-5-6-10-16(14(18)19-15(2,3)4)12-8-7-9-13(17)11-12/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyVDCRWFFWNCALOS-UHFFFAOYSA-N
XLogP3.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.93
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
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate
CID 139972373
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 71107115
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate?
The IUPAC name of tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate (CID 125116625) is tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate is CCCCN(C(=O)OC(C)(C)C)c1cccc(O)c1.
What is the InChIKey of tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate?
The InChIKey is VDCRWFFWNCALOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-10-16(14(18)19-15(2,3)4)12-8-7-9-13(17)11-12/h7-9,11,17H,5-6,10H2,1-4H3.
What are the key properties of tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate?
tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate has a molecular weight of 265.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate is sourced from PubChem (CID 125116625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).