(4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone

C24H30N2O3 — CID 3232882

IUPAC(4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(Cc4ccccc4OC)C3)C2)cc1
InChIInChI=1S/C24H30N2O3/c1-28-21-10-8-19(9-11-21)23(27)26-14-5-12-24(18-26)13-15-25(17-24)16-20-6-3-4-7-22(20)29-2/h3-4,6-11H,5,12-18H2,1-2H3/t24-/m0/s1
InChIKeyKXROYRGJBNNCSX-DEOSSOPVSA-N
MW394.51 g/mol
LogP3.83
Rot. Bonds5

About (4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone

(4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3232882) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3232882
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name(4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(Cc4ccccc4OC)C3)C2)cc1
InChIInChI=1S/C24H30N2O3/c1-28-21-10-8-19(9-11-21)23(27)26-14-5-12-24(18-26)13-15-25(17-24)16-20-6-3-4-7-22(20)29-2/h3-4,6-11H,5,12-18H2,1-2H3/t24-/m0/s1
InChIKeyKXROYRGJBNNCSX-DEOSSOPVSA-N
XLogP3.83
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3232882) is (4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone is COc1ccc(C(=O)N2CCC[C@@]3(CCN(Cc4ccccc4OC)C3)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is KXROYRGJBNNCSX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-28-21-10-8-19(9-11-21)23(27)26-14-5-12-24(18-26)13-15-25(17-24)16-20-6-3-4-7-22(20)29-2/h3-4,6-11H,5,12-18H2,1-2H3/t24-/m0/s1.
What are the key properties of (4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 394.51 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3232882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).