2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide

C20H31N3O — CID 119933404

IUPAC2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCNCC12CCCCC2
InChIInChI=1S/C20H31N3O/c1-3-17-9-7-8-16(2)19(17)22-18(24)14-23-13-12-21-15-20(23)10-5-4-6-11-20/h7-9,21H,3-6,10-15H2,1-2H3,(H,22,24)
InChIKeyVIJAAMYDPBQENA-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.10
Rot. Bonds4

About 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide

2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 119933404) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID119933404
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCNCC12CCCCC2
InChIInChI=1S/C20H31N3O/c1-3-17-9-7-8-16(2)19(17)22-18(24)14-23-13-12-21-15-20(23)10-5-4-6-11-20/h7-9,21H,3-6,10-15H2,1-2H3,(H,22,24)
InChIKeyVIJAAMYDPBQENA-UHFFFAOYSA-N
XLogP3.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
N-(2-ethyl-6-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7677753
1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
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N-(2-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
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CID 63282563
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
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CID 110688197
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437
N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626374
N-(2-ethyl-6-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404317
N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
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1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide (CID 119933404) is 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN1CCNCC12CCCCC2.
What is the InChIKey of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is VIJAAMYDPBQENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-3-17-9-7-8-16(2)19(17)22-18(24)14-23-13-12-21-15-20(23)10-5-4-6-11-20/h7-9,21H,3-6,10-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 329.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 119933404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).