ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

C30H35N3O6 — CID 3759569

IUPACethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCCOC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCN(C(=O)c3cc4cccc(OC)c4o3)CC2)C1
InChIInChI=1S/C30H35N3O6/c1-3-38-29(36)31-23(18-21-8-5-4-6-9-21)27(34)33-17-14-30(20-33)12-15-32(16-13-30)28(35)25-19-22-10-7-11-24(37-2)26(22)39-25/h4-11,19,23H,3,12-18,20H2,1-2H3,(H,31,36)
InChIKeyJIDYJRUEKYSIGW-UHFFFAOYSA-N
MW533.63 g/mol
LogP4.25
Rot. Bonds7

About ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 3759569) has the molecular formula C30H35N3O6 and a molecular weight of 533.63 g/mol. Its IUPAC name is ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID3759569
Molecular FormulaC30H35N3O6
Molecular Weight533.63 g/mol
Exact Mass533.25
IUPAC Nameethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCCOC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCN(C(=O)c3cc4cccc(OC)c4o3)CC2)C1
InChIInChI=1S/C30H35N3O6/c1-3-38-29(36)31-23(18-21-8-5-4-6-9-21)27(34)33-17-14-30(20-33)12-15-32(16-13-30)28(35)25-19-22-10-7-11-24(37-2)26(22)39-25/h4-11,19,23H,3,12-18,20H2,1-2H3,(H,31,36)
InChIKeyJIDYJRUEKYSIGW-UHFFFAOYSA-N
XLogP4.25
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 3759569) is ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate is CCOC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCN(C(=O)c3cc4cccc(OC)c4o3)CC2)C1.
What is the InChIKey of ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is JIDYJRUEKYSIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O6/c1-3-38-29(36)31-23(18-21-8-5-4-6-9-21)27(34)33-17-14-30(20-33)12-15-32(16-13-30)28(35)25-19-22-10-7-11-24(37-2)26(22)39-25/h4-11,19,23H,3,12-18,20H2,1-2H3,(H,31,36).
What are the key properties of ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate?
ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 533.63 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 3759569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).