2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

C22H30N4O4 — CID 2578515

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C22H30N4O4/c1-3-16-10-6-7-11-17(16)23-18(27)14-25(2)19(28)15-26-20(29)22(24-21(26)30)12-8-4-5-9-13-22/h6-7,10-11H,3-5,8-9,12-15H2,1-2H3,(H,23,27)(H,24,30)
InChIKeyHMHZXZYBWCKSIC-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.29
Rot. Bonds6

About 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 2578515) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID2578515
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C22H30N4O4/c1-3-16-10-6-7-11-17(16)23-18(27)14-25(2)19(28)15-26-20(29)22(24-21(26)30)12-8-4-5-9-13-22/h6-7,10-11H,3-5,8-9,12-15H2,1-2H3,(H,23,27)(H,24,30)
InChIKeyHMHZXZYBWCKSIC-UHFFFAOYSA-N
XLogP2.29
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-ethylphenyl)acetamide
CID 7170197
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2583554
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide
CID 9362019
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methylphenyl)acetamide
CID 2701809
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-phenylacetamide
CID 2701791
2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 9465491
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide
CID 2636302
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55643149
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylacetamide
CID 2622589
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide
CID 55899568

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (CID 2578515) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is CCc1ccccc1NC(=O)CN(C)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is HMHZXZYBWCKSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-3-16-10-6-7-11-17(16)23-18(27)14-25(2)19(28)15-26-20(29)22(24-21(26)30)12-8-4-5-9-13-22/h6-7,10-11H,3-5,8-9,12-15H2,1-2H3,(H,23,27)(H,24,30).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 414.51 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 2578515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).