(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate

C22H21NO3 — CID 162509952

IUPAC(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(O)cc1)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21NO3/c24-21-12-8-17(9-13-21)14-15-23-22(25)26-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,24H,14-16H2,(H,23,25)
InChIKeyCMAWXPIDQOCTOE-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.53
Rot. Bonds6

About (4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate

(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate (PubChem CID 162509952) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
PubChem CID162509952
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(O)cc1)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21NO3/c24-21-12-8-17(9-13-21)14-15-23-22(25)26-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,24H,14-16H2,(H,23,25)
InChIKeyCMAWXPIDQOCTOE-UHFFFAOYSA-N
XLogP4.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[2-(4-ethynylphenyl)ethyl]carbamate
CID 138986465
benzyl N-[(4R)-5-amino-4-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentyl]carbamate;hydrochloride
CID 70268668
2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 6737224
1-amino-3-[2-(4-phenylphenyl)ethyl]urea
CID 115192894
benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate
CID 126005165
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
benzyl N-[4-[3-[4-(hydroxymethyl)phenyl]phenyl]butyl]carbamate
CID 67456713
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of (4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate (CID 162509952) is (4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for (4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for (4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate is O=C(NCCc1ccc(O)cc1)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The InChIKey is CMAWXPIDQOCTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c24-21-12-8-17(9-13-21)14-15-23-22(25)26-16-18-6-10-20(11-7-18)19-4-2-1-3-5-19/h1-13,24H,14-16H2,(H,23,25).
What are the key properties of (4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate?
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate has a molecular weight of 347.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 162509952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).