tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate

C19H31N3O5 — CID 66988019

IUPACtert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCn1cc(C(=O)NCCO)ccc1=O
InChIInChI=1S/C19H31N3O5/c1-19(2,3)27-18(26)21-10-6-4-5-7-12-22-14-15(8-9-16(22)24)17(25)20-11-13-23/h8-9,14,23H,4-7,10-13H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyUDQJMENXTADTGN-UHFFFAOYSA-N
MW381.47 g/mol
LogP1.66
Rot. Bonds10

About tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate

tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate (PubChem CID 66988019) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate
PubChem CID66988019
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Nametert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCn1cc(C(=O)NCCO)ccc1=O
InChIInChI=1S/C19H31N3O5/c1-19(2,3)27-18(26)21-10-6-4-5-7-12-22-14-15(8-9-16(22)24)17(25)20-11-13-23/h8-9,14,23H,4-7,10-13H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyUDQJMENXTADTGN-UHFFFAOYSA-N
XLogP1.66
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate?
The IUPAC name of tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate (CID 66988019) is tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate is CC(C)(C)OC(=O)NCCCCCCn1cc(C(=O)NCCO)ccc1=O.
What is the InChIKey of tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate?
The InChIKey is UDQJMENXTADTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-19(2,3)27-18(26)21-10-6-4-5-7-12-22-14-15(8-9-16(22)24)17(25)20-11-13-23/h8-9,14,23H,4-7,10-13H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate?
tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate has a molecular weight of 381.47 g/mol, XLogP of 1.66, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[5-(2-hydroxyethylcarbamoyl)-2-oxo-1-pyridinyl]hexyl]carbamate is sourced from PubChem (CID 66988019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).