tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane

C23H35NO5 — CID 70370260

IUPACtert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane
SMILESCC(C)(C)OC(=O)NC(CO)Cc1cccc2ccccc12.CCOCOCC
InChIInChI=1S/C18H23NO3.C5H12O2/c1-18(2,3)22-17(21)19-15(12-20)11-14-9-6-8-13-7-4-5-10-16(13)14;1-3-6-5-7-4-2/h4-10,15,20H,11-12H2,1-3H3,(H,19,21);3-5H2,1-2H3
InChIKeyIJMGWYMOYJUKQD-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.28
Rot. Bonds8

About tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane

tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane (PubChem CID 70370260) has the molecular formula C23H35NO5 and a molecular weight of 405.54 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane
PubChem CID70370260
Molecular FormulaC23H35NO5
Molecular Weight405.54 g/mol
Exact Mass405.25
IUPAC Nametert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane
SMILESCC(C)(C)OC(=O)NC(CO)Cc1cccc2ccccc12.CCOCOCC
InChIInChI=1S/C18H23NO3.C5H12O2/c1-18(2,3)22-17(21)19-15(12-20)11-14-9-6-8-13-7-4-5-10-16(13)14;1-3-6-5-7-4-2/h4-10,15,20H,11-12H2,1-3H3,(H,19,21);3-5H2,1-2H3
InChIKeyIJMGWYMOYJUKQD-UHFFFAOYSA-N
XLogP4.28
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[(2S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]indol-3-yl]propan-2-yl]carbamate
CID 177310312
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
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tert-butyl N-[1-hydroxy-3-(2-tetradecoxyphenyl)propan-2-yl]carbamate
CID 21193346
tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 71511817
tert-butyl N-(2-formyl-3-naphthalen-1-ylpropyl)carbamate
CID 86775757
tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate
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tert-butyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15929386
tert-butyl N-[(2R)-1-(2-fluorophenyl)-3-hydroxypropan-2-yl]carbamate;[(2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 158415093
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
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tert-butyl N-[1-(2-methylphenyl)-3-sulfanylpropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane?
The IUPAC name of tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane (CID 70370260) is tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane.
What is the SMILES notation for tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane?
The canonical SMILES for tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane is CC(C)(C)OC(=O)NC(CO)Cc1cccc2ccccc12.CCOCOCC.
What is the InChIKey of tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane?
The InChIKey is IJMGWYMOYJUKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3.C5H12O2/c1-18(2,3)22-17(21)19-15(12-20)11-14-9-6-8-13-7-4-5-10-16(13)14;1-3-6-5-7-4-2/h4-10,15,20H,11-12H2,1-3H3,(H,19,21);3-5H2,1-2H3.
What are the key properties of tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane?
tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane has a molecular weight of 405.54 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane is sourced from PubChem (CID 70370260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).