tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate

C30H36N2O5 — CID 163379523

IUPACtert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C30H36N2O5/c1-20-26(24-16-23(10-11-25(24)36-20)35-19-21-8-6-5-7-9-21)27(33)31-22-17-30(18-22)12-14-32(15-13-30)28(34)37-29(2,3)4/h5-11,16,22H,12-15,17-19H2,1-4H3,(H,31,33)
InChIKeyZIVCJNGOKAWWQF-UHFFFAOYSA-N
MW504.63 g/mol
LogP6.23
Rot. Bonds5

About tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 163379523) has the molecular formula C30H36N2O5 and a molecular weight of 504.63 g/mol. Its IUPAC name is tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID163379523
Molecular FormulaC30H36N2O5
Molecular Weight504.63 g/mol
Exact Mass504.26
IUPAC Nametert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C30H36N2O5/c1-20-26(24-16-23(10-11-25(24)36-20)35-19-21-8-6-5-7-9-21)27(33)31-22-17-30(18-22)12-14-32(15-13-30)28(34)37-29(2,3)4/h5-11,16,22H,12-15,17-19H2,1-4H3,(H,31,33)
InChIKeyZIVCJNGOKAWWQF-UHFFFAOYSA-N
XLogP6.23
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 175486639
tert-butyl (5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 163379519
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
(1R,5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 170426835
tert-butyl 3-[[2-methyl-5-[(6-methyl-2-pyridinyl)methoxy]-1-benzofuran-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 175480591
(2S,4R)-4-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 163379337
ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
CID 163379362
N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379323
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602
tert-butyl (4S)-3,3-difluoro-4-[[2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carbonyl]amino]piperidine-1-carboxylate
CID 170347393
2-methyl-N-pyrrolidin-3-yl-5-[[3-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-3-carboxamide
CID 175486601

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate (CID 163379523) is tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate is Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ZIVCJNGOKAWWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O5/c1-20-26(24-16-23(10-11-25(24)36-20)35-19-21-8-6-5-7-9-21)27(33)31-22-17-30(18-22)12-14-32(15-13-30)28(34)37-29(2,3)4/h5-11,16,22H,12-15,17-19H2,1-4H3,(H,31,33).
What are the key properties of tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 504.63 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 163379523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).