tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate

C18H29NO4 — CID 68958557

IUPACtert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCCOCCc1ccccc1
InChIInChI=1S/C18H29NO4/c1-18(2,3)23-17(21)19(12-13-20)11-7-14-22-15-10-16-8-5-4-6-9-16/h4-6,8-9,20H,7,10-15H2,1-3H3
InChIKeyGPAGVFUFFZMQEU-UHFFFAOYSA-N
MW323.43 g/mol
LogP2.87
Rot. Bonds9

About tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate

tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate (PubChem CID 68958557) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate
PubChem CID68958557
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO)CCCOCCc1ccccc1
InChIInChI=1S/C18H29NO4/c1-18(2,3)23-17(21)19(12-13-20)11-7-14-22-15-10-16-8-5-4-6-9-16/h4-6,8-9,20H,7,10-15H2,1-3H3
InChIKeyGPAGVFUFFZMQEU-UHFFFAOYSA-N
XLogP2.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 52.87
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-[6-(4-phenylbutoxy)hexyl]carbamate
CID 67024101
tert-butyl N-(3-iodopropyl)-N-(2-phenylethyl)carbamate
CID 167461030
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
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-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]ethyl]-N-(2-phenylmethoxyethyl)carbamate
CID 140972219
tert-butyl N-(chlorosulfonylmethyl)-N-(3-phenylpropyl)carbamate
CID 22475482
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl methanesulfonate
CID 59393893
[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate
CID 102250598
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
tert-butyl N-(4-hydroxybutyl)-N-[(2E)-2-phenylmethoxyiminoethyl]carbamate
CID 10854366

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate (CID 68958557) is tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate is CC(C)(C)OC(=O)N(CCO)CCCOCCc1ccccc1.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate?
The InChIKey is GPAGVFUFFZMQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-18(2,3)23-17(21)19(12-13-20)11-7-14-22-15-10-16-8-5-4-6-9-16/h4-6,8-9,20H,7,10-15H2,1-3H3.
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate?
tert-butyl N-(2-hydroxyethyl)-N-[3-(2-phenylethoxy)propyl]carbamate has a molecular weight of 323.43 g/mol, XLogP of 2.87, 9 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-[3-(2-phenylethoxy)propyl]carbamate is sourced from PubChem (CID 68958557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).