tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate

C24H33N3O3 — CID 166791829

IUPACtert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(OCC2CCN(Cc3cccnc3)C2)cc1
InChIInChI=1S/C24H33N3O3/c1-24(2,3)30-23(28)26-13-10-19-6-8-22(9-7-19)29-18-21-11-14-27(17-21)16-20-5-4-12-25-15-20/h4-9,12,15,21H,10-11,13-14,16-18H2,1-3H3,(H,26,28)
InChIKeyWAEKOLWGGLOUGQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.05
Rot. Bonds8

About tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate

tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate (PubChem CID 166791829) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate
PubChem CID166791829
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Nametert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1ccc(OCC2CCN(Cc3cccnc3)C2)cc1
InChIInChI=1S/C24H33N3O3/c1-24(2,3)30-23(28)26-13-10-19-6-8-22(9-7-19)29-18-21-11-14-27(17-21)16-20-5-4-12-25-15-20/h4-9,12,15,21H,10-11,13-14,16-18H2,1-3H3,(H,26,28)
InChIKeyWAEKOLWGGLOUGQ-UHFFFAOYSA-N
XLogP4.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 59239835
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tert-butyl N-[[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]carbamate
CID 83980997
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tert-butyl N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]carbamate
CID 123896441
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
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tert-butyl N-[2-[3-(pyridin-3-ylmethyl)imidazol-4-yl]ethyl]carbamate
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tert-butyl N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]carbamate
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N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
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tert-butyl (3S)-3-(2-pyridin-3-ylethylcarbamoylamino)pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate (CID 166791829) is tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1ccc(OCC2CCN(Cc3cccnc3)C2)cc1.
What is the InChIKey of tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate?
The InChIKey is WAEKOLWGGLOUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-24(2,3)30-23(28)26-13-10-19-6-8-22(9-7-19)29-18-21-11-14-27(17-21)16-20-5-4-12-25-15-20/h4-9,12,15,21H,10-11,13-14,16-18H2,1-3H3,(H,26,28).
What are the key properties of tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate?
tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate has a molecular weight of 411.55 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methoxy]phenyl]ethyl]carbamate is sourced from PubChem (CID 166791829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).