tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate

C19H23NO3 — CID 155571892

IUPACtert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate
SMILESCc1ccc(C(O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C19H23NO3/c1-13-8-10-14(11-9-13)17(21)15-6-5-7-16(12-15)20-18(22)23-19(2,3)4/h5-12,17,21H,1-4H3,(H,20,22)
InChIKeyAORKKYRJLDEQBC-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.42
Rot. Bonds3

About tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate

tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate (PubChem CID 155571892) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate
PubChem CID155571892
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nametert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate
SMILESCc1ccc(C(O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C19H23NO3/c1-13-8-10-14(11-9-13)17(21)15-6-5-7-16(12-15)20-18(22)23-19(2,3)4/h5-12,17,21H,1-4H3,(H,20,22)
InChIKeyAORKKYRJLDEQBC-UHFFFAOYSA-N
XLogP4.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139349481
tert-butyl N-[3-[(2R)-4-hydroxybutan-2-yl]phenyl]carbamate
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tert-butyl N-[4-[[4-(4-fluorophenyl)phenyl]-hydroxymethyl]phenyl]carbamate
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tert-butyl N-(3-sulfanylphenyl)carbamate
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tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
CID 63788679
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate
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tert-butyl N-[3-[[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]thiophene-2-carbonyl]amino]phenyl]carbamate
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tert-butyl N-[3-(2-amino-4-methylanilino)phenyl]carbamate
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tert-butyl N-[3-(4-chloro-4-hydroxyiminobutan-2-yl)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate (CID 155571892) is tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate is Cc1ccc(C(O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1.
What is the InChIKey of tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate?
The InChIKey is AORKKYRJLDEQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-8-10-14(11-9-13)17(21)15-6-5-7-16(12-15)20-18(22)23-19(2,3)4/h5-12,17,21H,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate?
tert-butyl N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 4.42, 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-[hydroxy-(4-methylphenyl)methyl]phenyl]carbamate is sourced from PubChem (CID 155571892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).