tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate

C17H29N3O3 — CID 71085281

IUPACtert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate
SMILESCc1nc(N(C)CCO)ccc1CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H29N3O3/c1-13-14(7-8-15(18-13)19(5)11-12-21)9-10-20(6)16(22)23-17(2,3)4/h7-8,21H,9-12H2,1-6H3
InChIKeyOJYMPJPWECRZCB-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.23
Rot. Bonds6

About tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate (PubChem CID 71085281) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate
PubChem CID71085281
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nametert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate
SMILESCc1nc(N(C)CCO)ccc1CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H29N3O3/c1-13-14(7-8-15(18-13)19(5)11-12-21)9-10-20(6)16(22)23-17(2,3)4/h7-8,21H,9-12H2,1-6H3
InChIKeyOJYMPJPWECRZCB-UHFFFAOYSA-N
XLogP2.23
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate (CID 71085281) is tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate is Cc1nc(N(C)CCO)ccc1CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate?
The InChIKey is OJYMPJPWECRZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13-14(7-8-15(18-13)19(5)11-12-21)9-10-20(6)16(22)23-17(2,3)4/h7-8,21H,9-12H2,1-6H3.
What are the key properties of tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate has a molecular weight of 323.44 g/mol, XLogP of 2.23, 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-[6-[2-hydroxyethyl(methyl)amino]-2-methyl-3-pyridinyl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 71085281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).