2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide

C17H29N3O3 — CID 78784211

IUPAC2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C17H29N3O3/c1-4-10-19(11-5-2)14(21)12-20-15(22)17(18-16(20)23)9-7-6-8-13(17)3/h13H,4-12H2,1-3H3,(H,18,23)
InChIKeyCKMMGVLWSLVIDH-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.14
Rot. Bonds6

About 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide

2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide (PubChem CID 78784211) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
PubChem CID78784211
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C17H29N3O3/c1-4-10-19(11-5-2)14(21)12-20-15(22)17(18-16(20)23)9-7-6-8-13(17)3/h13H,4-12H2,1-3H3,(H,18,23)
InChIKeyCKMMGVLWSLVIDH-UHFFFAOYSA-N
XLogP2.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9208151
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-di(propan-2-yl)acetamide
CID 17390675
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532166
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
N-methyl-N-(4-methylcyclohexyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8521753
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11923048
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
N-ethyl-N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51196058
N-ethyl-N-(4-fluorophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7875413
(5R,6R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11892777
(5R,6R)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571777

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide (CID 78784211) is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN1C(=O)NC2(CCCCC2C)C1=O.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide?
The InChIKey is CKMMGVLWSLVIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-4-10-19(11-5-2)14(21)12-20-15(22)17(18-16(20)23)9-7-6-8-13(17)3/h13H,4-12H2,1-3H3,(H,18,23).
What are the key properties of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide?
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide has a molecular weight of 323.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 78784211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).