2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one

C25H30N2O5 — CID 175642991

IUPAC2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1cc(OC)c(C(=O)N2CCC3(CCN(CCc4ccccc4)C3=O)C2)cc1OC
InChIInChI=1S/C25H30N2O5/c1-30-20-16-22(32-3)21(31-2)15-19(20)23(28)27-14-11-25(17-27)10-13-26(24(25)29)12-9-18-7-5-4-6-8-18/h4-8,15-16H,9-14,17H2,1-3H3
InChIKeyPHWUJECNUGOJKG-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.02
Rot. Bonds7

About 2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one

2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175642991) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175642991
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1cc(OC)c(C(=O)N2CCC3(CCN(CCc4ccccc4)C3=O)C2)cc1OC
InChIInChI=1S/C25H30N2O5/c1-30-20-16-22(32-3)21(31-2)15-19(20)23(28)27-14-11-25(17-27)10-13-26(24(25)29)12-9-18-7-5-4-6-8-18/h4-8,15-16H,9-14,17H2,1-3H3
InChIKeyPHWUJECNUGOJKG-UHFFFAOYSA-N
XLogP3.02
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-methylquinoline-6-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646411
(5S)-2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42357494
7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641011
7-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645790
7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175640654
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641271
2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644842
7-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642466
(5R)-7-(cyclopropylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25311849
2-(4-hydroxy-6-oxo-1H-pyridine-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119068651
2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175642991) is 2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one is COc1cc(OC)c(C(=O)N2CCC3(CCN(CCc4ccccc4)C3=O)C2)cc1OC.
What is the InChIKey of 2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is PHWUJECNUGOJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-30-20-16-22(32-3)21(31-2)15-19(20)23(28)27-14-11-25(17-27)10-13-26(24(25)29)12-9-18-7-5-4-6-8-18/h4-8,15-16H,9-14,17H2,1-3H3.
What are the key properties of 2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 438.52 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175642991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).