2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide

C22H29FN4O5 — CID 55347953

IUPAC2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)C(C)Oc1ccc(F)cc1)C2=O
InChIInChI=1S/C22H29FN4O5/c1-13-9-21(3,4)12-22(10-13)19(30)27(20(31)24-22)11-17(28)25-26-18(29)14(2)32-16-7-5-15(23)6-8-16/h5-8,13-14H,9-12H2,1-4H3,(H,24,31)(H,25,28)(H,26,29)
InChIKeyOEZPAQUKGLCREN-UHFFFAOYSA-N
MW448.50 g/mol
LogP1.88
Rot. Bonds5

About 2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide

2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide (PubChem CID 55347953) has the molecular formula C22H29FN4O5 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide
PubChem CID55347953
Molecular FormulaC22H29FN4O5
Molecular Weight448.50 g/mol
Exact Mass448.21
IUPAC Name2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)C(C)Oc1ccc(F)cc1)C2=O
InChIInChI=1S/C22H29FN4O5/c1-13-9-21(3,4)12-22(10-13)19(30)27(20(31)24-22)11-17(28)25-26-18(29)14(2)32-16-7-5-15(23)6-8-16/h5-8,13-14H,9-12H2,1-4H3,(H,24,31)(H,25,28)(H,26,29)
InChIKeyOEZPAQUKGLCREN-UHFFFAOYSA-N
XLogP1.88
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579576
2-(4-fluorophenoxy)ethyl 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651688
N-(4-fluoro-2-methylphenyl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8864594
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
N-[2-(2-fluorophenyl)ethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51177061
N-cyclopropyl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25388631
2-(4-ethoxyphenoxy)-N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide
CID 55344117
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
N-(2,4-dimethoxyphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579558
N-(2,4-dimethoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579563
N-pentan-3-yl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41012688
N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7923789

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide?
The IUPAC name of 2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide (CID 55347953) is 2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide?
The canonical SMILES for 2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)NNC(=O)C(C)Oc1ccc(F)cc1)C2=O.
What is the InChIKey of 2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide?
The InChIKey is OEZPAQUKGLCREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O5/c1-13-9-21(3,4)12-22(10-13)19(30)27(20(31)24-22)11-17(28)25-26-18(29)14(2)32-16-7-5-15(23)6-8-16/h5-8,13-14H,9-12H2,1-4H3,(H,24,31)(H,25,28)(H,26,29).
What are the key properties of 2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide?
2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide has a molecular weight of 448.50 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide is sourced from PubChem (CID 55347953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).