tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate

C29H33N3O4 — CID 67207968

IUPACtert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate
SMILESCOC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)Cc2oc(N)cc21
InChIInChI=1S/C29H33N3O4/c1-28(2,3)36-27(33)31-29(15-8-16-29)20-11-13-21(14-12-20)32-18-23-22(17-24(30)35-23)26(34-4)25(32)19-9-6-5-7-10-19/h5-7,9-14,17H,8,15-16,18,30H2,1-4H3,(H,31,33)
InChIKeyCISDKWWYWJVUFH-UHFFFAOYSA-N
MW487.60 g/mol
LogP6.26
Rot. Bonds5

About tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate (PubChem CID 67207968) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate
PubChem CID67207968
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Nametert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate
SMILESCOC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)Cc2oc(N)cc21
InChIInChI=1S/C29H33N3O4/c1-28(2,3)36-27(33)31-29(15-8-16-29)20-11-13-21(14-12-20)32-18-23-22(17-24(30)35-23)26(34-4)25(32)19-9-6-5-7-10-19/h5-7,9-14,17H,8,15-16,18,30H2,1-4H3,(H,31,33)
InChIKeyCISDKWWYWJVUFH-UHFFFAOYSA-N
XLogP6.26
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl (5E)-2-methyl-1-(4-methylphenyl)-4-oxo-5-[(5-{[(phenylcarbamoyl)formamido]methyl}furan-2-YL)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 9550608
methyl 5-[[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60045909
methyl 5-[[[4-[4-[5-[(1S)-1-amino-2-oxopropyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate
CID 67016407
[1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 87309621
[(2R)-1-acetamidobutan-2-yl] N-[3-fluoro-4-[4-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]phenyl]carbamate
CID 145082299
Methyl 5-[[[4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]methyl]-2-methylfuran-3-carboxylate
CID 23404179
Methyl 2-methyl-5-[[methyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]methyl]furan-3-carboxylate
CID 78828854
Methyl 5-[[[2-(2-fluoroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 78899845
methyl (5E)-1-(4-fluorophenyl)-2-methyl-5-[[5-[[[2-(4-methylanilino)-2-oxoacetyl]amino]methyl]furan-2-yl]methylidene]-4-oxopyrrole-3-carboxylate
CID 125838671
methyl (5E)-5-[[5-[[[2-(4-fluoroanilino)-2-oxoacetyl]amino]methyl]furan-2-yl]methylidene]-2-methyl-1-(4-methylphenyl)-4-oxopyrrole-3-carboxylate
CID 126190379
Methyl 5-[[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 133764213
N-[[3-[4-[4-[[(5-aminofuran-2-yl)methylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 145082264

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate (CID 67207968) is tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate is COC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)Cc2oc(N)cc21.
What is the InChIKey of tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
The InChIKey is CISDKWWYWJVUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-28(2,3)36-27(33)31-29(15-8-16-29)20-11-13-21(14-12-20)32-18-23-22(17-24(30)35-23)26(34-4)25(32)19-9-6-5-7-10-19/h5-7,9-14,17H,8,15-16,18,30H2,1-4H3,(H,31,33).
What are the key properties of tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate has a molecular weight of 487.60 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(2-amino-4-methoxy-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 67207968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).