(4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C29H32N2O2 — CID 3233994

IUPAC(4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CCN(c2cccc(-c4ccccc4)c2)CC3)cc1
InChIInChI=1S/C29H32N2O2/c1-33-27-12-10-24(11-13-27)28(32)31-20-16-29(17-21-31)14-18-30(19-15-29)26-9-5-8-25(22-26)23-6-3-2-4-7-23/h2-13,22H,14-21H2,1H3
InChIKeyFLSQVXBOKMKMLU-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.89
Rot. Bonds4

About (4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

(4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 3233994) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is (4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID3233994
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name(4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CCN(c2cccc(-c4ccccc4)c2)CC3)cc1
InChIInChI=1S/C29H32N2O2/c1-33-27-12-10-24(11-13-27)28(32)31-20-16-29(17-21-31)14-18-30(19-15-29)26-9-5-8-25(22-26)23-6-3-2-4-7-23/h2-13,22H,14-21H2,1H3
InChIKeyFLSQVXBOKMKMLU-UHFFFAOYSA-N
XLogP5.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 3233994) is (4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is COc1ccc(C(=O)N2CCC3(CC2)CCN(c2cccc(-c4ccccc4)c2)CC3)cc1.
What is the InChIKey of (4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is FLSQVXBOKMKMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-33-27-12-10-24(11-13-27)28(32)31-20-16-29(17-21-31)14-18-30(19-15-29)26-9-5-8-25(22-26)23-6-3-2-4-7-23/h2-13,22H,14-21H2,1H3.
What are the key properties of (4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
(4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 440.59 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 3233994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).