tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate

C24H33N3O8 — CID 163999089

IUPACtert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCCOCCOCCO
InChIInChI=1S/C24H33N3O8/c1-24(2,3)35-23(31)26-27-11-9-19(29)21(34-17-18-7-5-4-6-8-18)20(27)22(30)25-10-13-32-15-16-33-14-12-28/h4-9,11,28H,10,12-17H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyUHISUUWGMISTMV-UHFFFAOYSA-N
MW491.54 g/mol
LogP1.66
Rot. Bonds13

About tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate

tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate (PubChem CID 163999089) has the molecular formula C24H33N3O8 and a molecular weight of 491.54 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate
PubChem CID163999089
Molecular FormulaC24H33N3O8
Molecular Weight491.54 g/mol
Exact Mass491.23
IUPAC Nametert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCCOCCOCCO
InChIInChI=1S/C24H33N3O8/c1-24(2,3)35-23(31)26-27-11-9-19(29)21(34-17-18-7-5-4-6-8-18)20(27)22(30)25-10-13-32-15-16-33-14-12-28/h4-9,11,28H,10,12-17H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyUHISUUWGMISTMV-UHFFFAOYSA-N
XLogP1.66
TPSA137.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-oxo-3-phenylmethoxy-2-(propan-2-ylcarbamoyl)-1-pyridinyl]carbamate
CID 168831893
2,2,2-trifluoroethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464582
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
(5,5-dimethoxypentylamino)methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 155298269
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-(2-phenylmethoxyethyl)carbamate
CID 160954727
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
benzyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]propanoate
CID 123132103
1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide
CID 10054072
tert-butyl N-[2-[2-[2-[[2-phenylmethoxy-3-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)benzoyl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 129302795
N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide
CID 162689120
1-amino-N-[2-(2-butoxy-2-methoxyethoxy)ethyl]-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 134484200

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate (CID 163999089) is tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate is CC(C)(C)OC(=O)Nn1ccc(=O)c(OCc2ccccc2)c1C(=O)NCCOCCOCCO.
What is the InChIKey of tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate?
The InChIKey is UHISUUWGMISTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O8/c1-24(2,3)35-23(31)26-27-11-9-19(29)21(34-17-18-7-5-4-6-8-18)20(27)22(30)25-10-13-32-15-16-33-14-12-28/h4-9,11,28H,10,12-17H2,1-3H3,(H,25,30)(H,26,31).
What are the key properties of tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate?
tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate has a molecular weight of 491.54 g/mol, XLogP of 1.66, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylcarbamoyl]-4-oxo-3-phenylmethoxy-1-pyridinyl]carbamate is sourced from PubChem (CID 163999089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).