8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one

C18H25N3O4 — CID 119063300

IUPAC8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc1OCCN
InChIInChI=1S/C18H25N3O4/c1-24-14-3-2-13(10-15(14)25-9-6-19)17(23)21-7-4-18(5-8-21)11-16(22)20-12-18/h2-3,10H,4-9,11-12,19H2,1H3,(H,20,22)
InChIKeyZRRHNFNLPAQEQU-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.77
Rot. Bonds5

About 8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one

8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 119063300) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID119063300
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc1OCCN
InChIInChI=1S/C18H25N3O4/c1-24-14-3-2-13(10-15(14)25-9-6-19)17(23)21-7-4-18(5-8-21)11-16(22)20-12-18/h2-3,10H,4-9,11-12,19H2,1H3,(H,20,22)
InChIKeyZRRHNFNLPAQEQU-UHFFFAOYSA-N
XLogP0.77
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50969847
8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70778858
8-(4-piperidin-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951911
(3,4-dimethoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406157
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 107160164
[3-(2-aminoethoxy)-4-methoxyphenyl]-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone;hydrochloride
CID 154884508
[3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 119063986
4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one
CID 31095647
acetic acid;[3-(2-aminoethoxy)-4-methoxyphenyl]-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 154904873
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 119063300) is 8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one is COc1ccc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc1OCCN.
What is the InChIKey of 8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZRRHNFNLPAQEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-14-3-2-13(10-15(14)25-9-6-19)17(23)21-7-4-18(5-8-21)11-16(22)20-12-18/h2-3,10H,4-9,11-12,19H2,1H3,(H,20,22).
What are the key properties of 8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 347.42 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 119063300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).