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

C16H26N4O4 — CID 9362019

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide
SMILESCN(C)C(=O)CN(C)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C16H26N4O4/c1-18(2)12(21)10-19(3)13(22)11-20-14(23)16(17-15(20)24)8-6-4-5-7-9-16/h4-11H2,1-3H3,(H,17,24)
InChIKeyIPAFBXDAWZRVSD-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.18
Rot. Bonds4

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

N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide (PubChem CID 9362019) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide
PubChem CID9362019
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide
SMILESCN(C)C(=O)CN(C)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C16H26N4O4/c1-18(2)12(21)10-19(3)13(22)11-20-14(23)16(17-15(20)24)8-6-4-5-7-9-16/h4-11H2,1-3H3,(H,17,24)
InChIKeyIPAFBXDAWZRVSD-UHFFFAOYSA-N
XLogP0.18
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.18
H-Bond Donors ≤ 51
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[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2583554
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
CID 119653106
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-phenylacetamide
CID 2701791
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 17453320
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2578515
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 9401664
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 2583608
N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 119582843
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
CID 112804797
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methylacetamide
CID 47093751

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide (CID 9362019) is N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide is CN(C)C(=O)CN(C)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide?
The InChIKey is IPAFBXDAWZRVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-18(2)12(21)10-19(3)13(22)11-20-14(23)16(17-15(20)24)8-6-4-5-7-9-16/h4-11H2,1-3H3,(H,17,24).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide has a molecular weight of 338.41 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methylacetamide is sourced from PubChem (CID 9362019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).