tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate

C22H28ClNO3 — CID 67166263

IUPACtert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1Cl)Cc1cccc(CCO)c1
InChIInChI=1S/C22H28ClNO3/c1-22(2,3)27-21(26)24(13-11-19-9-4-5-10-20(19)23)16-18-8-6-7-17(15-18)12-14-25/h4-10,15,25H,11-14,16H2,1-3H3
InChIKeyHCGZYYHCUZJPFO-UHFFFAOYSA-N
MW389.92 g/mol
LogP4.85
Rot. Bonds7

About tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate

tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate (PubChem CID 67166263) has the molecular formula C22H28ClNO3 and a molecular weight of 389.92 g/mol. Its IUPAC name is tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
PubChem CID67166263
Molecular FormulaC22H28ClNO3
Molecular Weight389.92 g/mol
Exact Mass389.18
IUPAC Nametert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccccc1Cl)Cc1cccc(CCO)c1
InChIInChI=1S/C22H28ClNO3/c1-22(2,3)27-21(26)24(13-11-19-9-4-5-10-20(19)23)16-18-8-6-7-17(15-18)12-14-25/h4-10,15,25H,11-14,16H2,1-3H3
InChIKeyHCGZYYHCUZJPFO-UHFFFAOYSA-N
XLogP4.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.92
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate (CID 67166263) is tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)N(CCc1ccccc1Cl)Cc1cccc(CCO)c1.
What is the InChIKey of tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The InChIKey is HCGZYYHCUZJPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO3/c1-22(2,3)27-21(26)24(13-11-19-9-4-5-10-20(19)23)16-18-8-6-7-17(15-18)12-14-25/h4-10,15,25H,11-14,16H2,1-3H3.
What are the key properties of tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate has a molecular weight of 389.92 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 67166263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).