tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate

C20H24ClNO3 — CID 171066128

IUPACtert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)Cc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C20H24ClNO3/c1-20(2,3)25-19(24)22(11-12-23)14-15-9-10-17(18(21)13-15)16-7-5-4-6-8-16/h4-10,13,23H,11-12,14H2,1-3H3
InChIKeyIQWLEEZHQQMEDU-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.74
Rot. Bonds5

About tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate

tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate (PubChem CID 171066128) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate
PubChem CID171066128
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Nametert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)Cc1ccc(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C20H24ClNO3/c1-20(2,3)25-19(24)22(11-12-23)14-15-9-10-17(18(21)13-15)16-7-5-4-6-8-16/h4-10,13,23H,11-12,14H2,1-3H3
InChIKeyIQWLEEZHQQMEDU-UHFFFAOYSA-N
XLogP4.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate (CID 171066128) is tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)N(CCO)Cc1ccc(-c2ccccc2)c(Cl)c1.
What is the InChIKey of tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate?
The InChIKey is IQWLEEZHQQMEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-20(2,3)25-19(24)22(11-12-23)14-15-9-10-17(18(21)13-15)16-7-5-4-6-8-16/h4-10,13,23H,11-12,14H2,1-3H3.
What are the key properties of tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate?
tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate has a molecular weight of 361.87 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-chloro-4-phenylphenyl)methyl]-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 171066128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).