tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate

C21H24N2O4 — CID 156500216

IUPACtert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate
SMILESCc1c(CN(C)C(=O)OC(C)(C)C)oc2cccc(Oc3cccnc3)c12
InChIInChI=1S/C21H24N2O4/c1-14-18(13-23(5)20(24)27-21(2,3)4)26-17-10-6-9-16(19(14)17)25-15-8-7-11-22-12-15/h6-12H,13H2,1-5H3
InChIKeyYARLMRJQTVRRAD-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.30
Rot. Bonds4

About tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate

tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate (PubChem CID 156500216) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate
PubChem CID156500216
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nametert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate
SMILESCc1c(CN(C)C(=O)OC(C)(C)C)oc2cccc(Oc3cccnc3)c12
InChIInChI=1S/C21H24N2O4/c1-14-18(13-23(5)20(24)27-21(2,3)4)26-17-10-6-9-16(19(14)17)25-15-8-7-11-22-12-15/h6-12H,13H2,1-5H3
InChIKeyYARLMRJQTVRRAD-UHFFFAOYSA-N
XLogP5.30
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol
CID 22615073
tert-butyl 3-methyl-4-pyridin-3-yl-1-benzofuran-2-carboxylate
CID 68712443
tert-butyl N-methyl-N-[2-(methylamino)-2-pyridin-3-ylethyl]carbamate
CID 116861299
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate
CID 169243691
tert-butyl N-[(4S)-4-chloro-4-pyridin-3-ylbutyl]-N-methylcarbamate
CID 163661402
tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate
CID 103647372
tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate
CID 151516275
[3-methyl-4-(1-piperidin-3-yl-1-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol
CID 70220319
[4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol
CID 70219903
2,6-dipyridin-3-yloxyphenol
CID 139940524
tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
CID 103818744

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate (CID 156500216) is tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate is Cc1c(CN(C)C(=O)OC(C)(C)C)oc2cccc(Oc3cccnc3)c12.
What is the InChIKey of tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate?
The InChIKey is YARLMRJQTVRRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-18(13-23(5)20(24)27-21(2,3)4)26-17-10-6-9-16(19(14)17)25-15-8-7-11-22-12-15/h6-12H,13H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate?
tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate has a molecular weight of 368.43 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3-methyl-4-pyridin-3-yloxy-1-benzofuran-2-yl)methyl]carbamate is sourced from PubChem (CID 156500216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).