8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C19H26N2O3 — CID 72927226

IUPAC8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCOCC(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N2C
InChIInChI=1S/C19H26N2O3/c1-3-24-14-17(22)21-11-9-19(10-12-21)13-16(18(23)20(19)2)15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3
InChIKeyVDSDNXXKNPTPJP-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.03
Rot. Bonds4

About 8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72927226) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID72927226
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCCOCC(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N2C
InChIInChI=1S/C19H26N2O3/c1-3-24-14-17(22)21-11-9-19(10-12-21)13-16(18(23)20(19)2)15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3
InChIKeyVDSDNXXKNPTPJP-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-phenyl-8-(2-pyrrolidin-1-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72851229
[2-[(3S)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
CID 97201484
(4S)-2-cyclopropyl-9-(2-ethoxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97207725
(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97195631
1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72874996
(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97188134
1-[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 97195400
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506
1-methyl-8-(oxolane-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134072393
8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72880607
1-methyl-3-phenyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131659093
9-[2-(2-methoxyethoxy)acetyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72882076

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 72927226) is 8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CCOCC(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N2C.
What is the InChIKey of 8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VDSDNXXKNPTPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-24-14-17(22)21-11-9-19(10-12-21)13-16(18(23)20(19)2)15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3.
What are the key properties of 8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72927226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).