tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate

C18H21NO3 — CID 58911434

IUPACtert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-12-13-6-4-7-14(10-13)15-8-5-9-16(20)11-15/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyBDMSQLNVFOFUIY-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate

tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate (PubChem CID 58911434) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
PubChem CID58911434
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nametert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-12-13-6-4-7-14(10-13)15-8-5-9-16(20)11-15/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyBDMSQLNVFOFUIY-UHFFFAOYSA-N
XLogP4.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid
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tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
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tert-butyl N-[[3-(methylsulfanyloxymethyl)phenyl]methyl]carbamate
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[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl N-methylcarbamate
CID 23548893
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
CID 167192366
tert-butyl N-[[3-(3-hydroxyprop-1-enyl)phenyl]methyl]carbamate
CID 169454210
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate
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tert-butyl N-[(3-chlorosulfonylphenyl)methyl]carbamate
CID 130114902

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate (CID 58911434) is tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(-c2cccc(O)c2)c1.
What is the InChIKey of tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate?
The InChIKey is BDMSQLNVFOFUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2,3)22-17(21)19-12-13-6-4-7-14(10-13)15-8-5-9-16(20)11-15/h4-11,20H,12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate?
tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate is sourced from PubChem (CID 58911434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).