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

C21H26ClNO3 — CID 67166001

IUPACtert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cccc(CCO)c1)Cc1ccccc1Cl
InChIInChI=1S/C21H26ClNO3/c1-21(2,3)26-20(25)23(15-18-9-4-5-10-19(18)22)14-17-8-6-7-16(13-17)11-12-24/h4-10,13,24H,11-12,14-15H2,1-3H3
InChIKeyVSARRBHQNLFJKB-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.81
Rot. Bonds6

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

tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate (PubChem CID 67166001) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
PubChem CID67166001
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Nametert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cccc(CCO)c1)Cc1ccccc1Cl
InChIInChI=1S/C21H26ClNO3/c1-21(2,3)26-20(25)23(15-18-9-4-5-10-19(18)22)14-17-8-6-7-16(13-17)11-12-24/h4-10,13,24H,11-12,14-15H2,1-3H3
InChIKeyVSARRBHQNLFJKB-UHFFFAOYSA-N
XLogP4.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate with MolForge

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Related Compounds

3-[(1S)-1-(2-chlorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67997030
3-[(2-Chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 58109121
(2-Fluoro-benzyl)-[3-(2-hydroxy-ethyl)-benzyl]-carbamic acid tert-butyl ester
CID 67164191
tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[2-[3-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 67164816
tert-butyl N-[2-(2-fluorophenyl)ethyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate
CID 67166481
(4-Chloro-3-hydroxymethyl-benzyl)-(2,2-difluoro-ethyl)-carbamic acid tert-butyl ester
CID 86622950
(4-Chloro-3-hydroxymethyl-benzyl)-(2-fluoro-ethyl)carbamic Acid tert-butyl Ester
CID 86622964
[2-(4-Chloro-3-hydroxymethyl-phenyl)-ethyl]-(2,2-difluoro-ethyl)-carbamic Acid tert-butyl Ester
CID 86632366
tert-butyl (2R,3R)-2-(2-chloro-5-fluoro-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 176413878
tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate
CID 132850531
lithium tert-butyl N-benzyl-N-[2-(2-chlorophenyl)ethyl]carbamate
CID 134959169
lithium tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-(phenylmethyl)carbamate
CID 134959170

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate (CID 67166001) is tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)N(Cc1cccc(CCO)c1)Cc1ccccc1Cl.
What is the InChIKey of tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
The InChIKey is VSARRBHQNLFJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-21(2,3)26-20(25)23(15-18-9-4-5-10-19(18)22)14-17-8-6-7-16(13-17)11-12-24/h4-10,13,24H,11-12,14-15H2,1-3H3.
What are the key properties of tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate?
tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate has a molecular weight of 375.90 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-chlorophenyl)methyl]-N-[[3-(2-hydroxyethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 67166001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).