2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one

C24H28N2O5 — CID 175643015

IUPAC2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(C(=O)c3ccc(Oc4ccc(OC)cc4)cc3)C2)C1=O
InChIInChI=1S/C24H28N2O5/c1-29-16-15-25-13-11-24(23(25)28)12-14-26(17-24)22(27)18-3-5-20(6-4-18)31-21-9-7-19(30-2)8-10-21/h3-10H,11-17H2,1-2H3
InChIKeyIXOBVFSPRRTRNH-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.20
Rot. Bonds7

About 2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one

2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175643015) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175643015
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(C(=O)c3ccc(Oc4ccc(OC)cc4)cc3)C2)C1=O
InChIInChI=1S/C24H28N2O5/c1-29-16-15-25-13-11-24(23(25)28)12-14-26(17-24)22(27)18-3-5-20(6-4-18)31-21-9-7-19(30-2)8-10-21/h3-10H,11-17H2,1-2H3
InChIKeyIXOBVFSPRRTRNH-UHFFFAOYSA-N
XLogP3.20
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
(5S)-7-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97205006
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25299094
2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855059
7-(4-chloro-2-fluorobenzoyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642055
7-(2-chloro-5-fluorobenzoyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643787
N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide
CID 175640927
7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645008
(5R)-2-(3-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42119648
2-(2-methoxyethyl)-8-(6-methylpyridine-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370193
(5R)-2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489862

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 175643015) is 2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CCC2(CCN(C(=O)c3ccc(Oc4ccc(OC)cc4)cc3)C2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is IXOBVFSPRRTRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-29-16-15-25-13-11-24(23(25)28)12-14-26(17-24)22(27)18-3-5-20(6-4-18)31-21-9-7-19(30-2)8-10-21/h3-10H,11-17H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 424.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175643015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).