tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate

C14H18Cl2N2O4 — CID 150355605

IUPACtert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCC(=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O4/c1-14(2,3)22-13(20)17-4-5-21-8-11(19)12-10(16)6-9(15)7-18-12/h6-7H,4-5,8H2,1-3H3,(H,17,20)
InChIKeyGUQOZYKTXHHFLZ-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.11
Rot. Bonds6

About tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate

tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate (PubChem CID 150355605) has the molecular formula C14H18Cl2N2O4 and a molecular weight of 349.21 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate
PubChem CID150355605
Molecular FormulaC14H18Cl2N2O4
Molecular Weight349.21 g/mol
Exact Mass348.06
IUPAC Nametert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCC(=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O4/c1-14(2,3)22-13(20)17-4-5-21-8-11(19)12-10(16)6-9(15)7-18-12/h6-7H,4-5,8H2,1-3H3,(H,17,20)
InChIKeyGUQOZYKTXHHFLZ-UHFFFAOYSA-N
XLogP3.11
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-Methoxyethylamino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484884
tert-butyl N-[2-(3,5-dichloropyridin-2-yl)-2-oxoethyl]carbamate
CID 118071648
tert-butyl (S)-N-[2-(3,5-dichloropyridin-2-yl)-1-methyl-2-oxoethyl]carbamate
CID 131736894
Ethyl 2-[(3,5-dichloropyridine-2-carbonyl)amino]acetate
CID 154629736
3-(3,5-dichloro-2-pyridinyl)butan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 155206281
Tert-butyl 2-[(3,5-dichloropyridine-2-carbonyl)amino]acetate
CID 155714795
tert-butyl N-[2-[2-(4-bromo-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate
CID 164586938
tert-butyl N-[2-(3-chloropyridin-2-yl)-2-oxoethyl]carbamate
CID 165941983
2-Methylpropyl 2-[(3,5-dichloropyridine-2-carbonyl)amino]acetate
CID 170184675
1-(5-Chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 171794669
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2546270
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3,4,5-trichloropyridine-2-carboxylate
CID 7351727

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate (CID 150355605) is tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCC(=O)c1ncc(Cl)cc1Cl.
What is the InChIKey of tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate?
The InChIKey is GUQOZYKTXHHFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4/c1-14(2,3)22-13(20)17-4-5-21-8-11(19)12-10(16)6-9(15)7-18-12/h6-7H,4-5,8H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate has a molecular weight of 349.21 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(3,5-dichloro-2-pyridinyl)-2-oxoethoxy]ethyl]carbamate is sourced from PubChem (CID 150355605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).