tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate

C26H28N2O4 — CID 177366694

IUPACtert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate
SMILESCc1cc([C@@H](C)NC(=O)OC(C)(C)C)c2oc3c(OCc4ccccc4)ccnc3c2c1
InChIInChI=1S/C26H28N2O4/c1-16-13-19(17(2)28-25(29)32-26(3,4)5)23-20(14-16)22-24(31-23)21(11-12-27-22)30-15-18-9-7-6-8-10-18/h6-14,17H,15H2,1-5H3,(H,28,29)/t17-/m1/s1
InChIKeyZCZRJICAXBTCSW-QGZVFWFLSA-N
MW432.52 g/mol
LogP6.45
Rot. Bonds5

About tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate

tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate (PubChem CID 177366694) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate
PubChem CID177366694
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Nametert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate
SMILESCc1cc([C@@H](C)NC(=O)OC(C)(C)C)c2oc3c(OCc4ccccc4)ccnc3c2c1
InChIInChI=1S/C26H28N2O4/c1-16-13-19(17(2)28-25(29)32-26(3,4)5)23-20(14-16)22-24(31-23)21(11-12-27-22)30-15-18-9-7-6-8-10-18/h6-14,17H,15H2,1-5H3,(H,28,29)/t17-/m1/s1
InChIKeyZCZRJICAXBTCSW-QGZVFWFLSA-N
XLogP6.45
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate with MolForge

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Related Compounds

methyl 3-[8-methyl-6-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-[1]benzofuro[3,2-b]pyridin-4-yl]bicyclo[1.1.1]pentane-1-carboxylate
CID 177366737
tert-butyl N-[(1R)-1-[8-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[1.1.1]pentanyl]-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]carbamate
CID 177366817
tert-butyl N-[1-(2,4-difluoro-6-phenylmethoxyphenyl)ethyl]carbamate
CID 118337834
tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-3-methyl-1-(2-phenylmethoxyphenyl)butyl]carbamate
CID 132595949
tert-butyl N-[1-[4-(1-ethoxyisoquinoline-5-carbonyl)-3,5-difluoro-2-phenylmethoxyphenyl]ethyl]carbamate
CID 140785515
tert-butyl N-[(1R)-1-[2-(4,4-difluorocyclohexyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamate
CID 176864926
tert-butyl N-(5-iodo-8-phenylmethoxyquinolin-6-yl)carbamate
CID 22053399
dibenzyl 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 102184281
2-[[(1R)-1-[8-methyl-4-(2-methyl-1,3-thiazol-5-yl)-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]amino]benzoic acid
CID 177366782
tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate
CID 11428749
tert-butyl N-(2-methyl-7-phenylmethoxy-1,3-benzoxazol-5-yl)carbamate;ethane
CID 154664763
[3-(difluoromethoxy)-2-phenylmethoxyphenyl] 5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 174981142

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate (CID 177366694) is tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate is Cc1cc([C@@H](C)NC(=O)OC(C)(C)C)c2oc3c(OCc4ccccc4)ccnc3c2c1.
What is the InChIKey of tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate?
The InChIKey is ZCZRJICAXBTCSW-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-16-13-19(17(2)28-25(29)32-26(3,4)5)23-20(14-16)22-24(31-23)21(11-12-27-22)30-15-18-9-7-6-8-10-18/h6-14,17H,15H2,1-5H3,(H,28,29)/t17-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate?
tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate has a molecular weight of 432.52 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(8-methyl-4-phenylmethoxy-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]carbamate is sourced from PubChem (CID 177366694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).