tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate

C23H39NO4 — CID 67024101

IUPACtert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCCCCCOCCCCc1ccccc1
InChIInChI=1S/C23H39NO4/c1-23(2,3)28-22(26)24(17-18-25)16-10-4-5-11-19-27-20-12-9-15-21-13-7-6-8-14-21/h6-8,13-14,25H,4-5,9-12,15-20H2,1-3H3
InChIKeyIQGQLVKCACLUIL-UHFFFAOYSA-N
MW393.57 g/mol
LogP4.82
Rot. Bonds14

About tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate

tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate (PubChem CID 67024101) has the molecular formula C23H39NO4 and a molecular weight of 393.57 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate
PubChem CID67024101
Molecular FormulaC23H39NO4
Molecular Weight393.57 g/mol
Exact Mass393.29
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCCCCCOCCCCc1ccccc1
InChIInChI=1S/C23H39NO4/c1-23(2,3)28-22(26)24(17-18-25)16-10-4-5-11-19-27-20-12-9-15-21-13-7-6-8-14-21/h6-8,13-14,25H,4-5,9-12,15-20H2,1-3H3
InChIKeyIQGQLVKCACLUIL-UHFFFAOYSA-N
XLogP4.82
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate
CID 68958557
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348
tert-butyl N-(7-aminoheptyl)-N-(2-phenylethyl)carbamate
CID 146018002
tert-butyl N-(3-iodopropyl)-N-(2-phenylethyl)carbamate
CID 167461030
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]ethyl]-N-(2-phenylmethoxyethyl)carbamate
CID 140972219
tert-butyl N-benzyl-N-[6-(5-hydroxypentylamino)hexyl]carbamate
CID 22006341
tert-butyl N-[(2R)-2-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-3-(hydroxymethyl)phenyl]-2-hydroxyethyl]-N-[6-(4-phenylbutoxy)hexyl]carbamate
CID 58014133
tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate
CID 167200930
tert-butyl N-(chlorosulfonylmethyl)-N-(3-phenylpropyl)carbamate
CID 22475482
tert-butyl N-[2-[4-(dimethylphosphoryloxymethoxy)-3-(hydroxymethyl)phenyl]-2-hydroxyethyl]-N-[6-(4-phenylbutoxy)hexyl]carbamate
CID 58014229

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate (CID 67024101) is tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate is CC(C)(C)OC(=O)N(CCO)CCCCCCOCCCCc1ccccc1.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate?
The InChIKey is IQGQLVKCACLUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO4/c1-23(2,3)28-22(26)24(17-18-25)16-10-4-5-11-19-27-20-12-9-15-21-13-7-6-8-14-21/h6-8,13-14,25H,4-5,9-12,15-20H2,1-3H3.
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate?
tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate has a molecular weight of 393.57 g/mol, XLogP of 4.82, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethyl)-N-[6-(4-phenylbutoxy)hexyl]carbamate is sourced from PubChem (CID 67024101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).