tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal

C24H49NO5 — CID 178107903

IUPACtert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal
SMILESCCCCCCCCCCCCCC=O.COCCN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28O.C10H21NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-10(2,3)15-9(13)11(5-7-12)6-8-14-4/h14H,2-13H2,1H3;12H,5-8H2,1-4H3
InChIKeyYILBJHVTEURAIU-UHFFFAOYSA-N
MW431.66 g/mol
LogP5.75
Rot. Bonds17

About tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal

tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal (PubChem CID 178107903) has the molecular formula C24H49NO5 and a molecular weight of 431.66 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal
PubChem CID178107903
Molecular FormulaC24H49NO5
Molecular Weight431.66 g/mol
Exact Mass431.36
IUPAC Nametert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal
SMILESCCCCCCCCCCCCCC=O.COCCN(CCO)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28O.C10H21NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-10(2,3)15-9(13)11(5-7-12)6-8-14-4/h14H,2-13H2,1H3;12H,5-8H2,1-4H3
InChIKeyYILBJHVTEURAIU-UHFFFAOYSA-N
XLogP5.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.66
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 65142743
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
tert-butyl N,N-bis(2-hydroxyethyl)carbamate;hexadecanoyl chloride;2-[(2-methylpropan-2-yl)oxycarbonyl-(2-tetradecanoyloxyethyl)amino]ethyl tetradecanoate
CID 162255791
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tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate
CID 167200930
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CID 87390438
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tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide
CID 170224488
docosan-1-ol;icosanal;tricosan-1-ol
CID 161210257
octadec-9-enyl 3-[4-[(3-hept-4-enoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 76688056

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal?
The IUPAC name of tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal (CID 178107903) is tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal.
What is the SMILES notation for tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal?
The canonical SMILES for tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal is CCCCCCCCCCCCCC=O.COCCN(CCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal?
The InChIKey is YILBJHVTEURAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O.C10H21NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-10(2,3)15-9(13)11(5-7-12)6-8-14-4/h14H,2-13H2,1H3;12H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal?
tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal has a molecular weight of 431.66 g/mol, XLogP of 5.75, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyethyl)-N-(2-methoxyethyl)carbamate;tetradecanal is sourced from PubChem (CID 178107903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).