2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide

C14H25N5O3 — CID 94751894

IUPAC2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC2(CC1)NC(=O)N(CCN)C2=O
InChIInChI=1S/C14H25N5O3/c1-2-6-16-11(20)10-18-7-3-14(4-8-18)12(21)19(9-5-15)13(22)17-14/h2-10,15H2,1H3,(H,16,20)(H,17,22)
InChIKeyBJBXRWINKXHGMO-UHFFFAOYSA-N
MW311.39 g/mol
LogP-1.14
Rot. Bonds6

About 2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide

2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide (PubChem CID 94751894) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide
PubChem CID94751894
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC Name2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC2(CC1)NC(=O)N(CCN)C2=O
InChIInChI=1S/C14H25N5O3/c1-2-6-16-11(20)10-18-7-3-14(4-8-18)12(21)19(9-5-15)13(22)17-14/h2-10,15H2,1H3,(H,16,20)(H,17,22)
InChIKeyBJBXRWINKXHGMO-UHFFFAOYSA-N
XLogP-1.14
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-(8-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanamide
CID 94755207
3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82147866
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
2-[3-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-(2-methylpropyl)acetamide
CID 82148746
2-[3-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-methylacetamide
CID 82148824
3-[8-[2-(methylamino)-2-oxoethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanoic acid
CID 94752427
4-[8-[2-(methylamino)-2-oxoethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148992
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119405447
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 84601373

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide?
The IUPAC name of 2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide (CID 94751894) is 2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide is CCCNC(=O)CN1CCC2(CC1)NC(=O)N(CCN)C2=O.
What is the InChIKey of 2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide?
The InChIKey is BJBXRWINKXHGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-2-6-16-11(20)10-18-7-3-14(4-8-18)12(21)19(9-5-15)13(22)17-14/h2-10,15H2,1H3,(H,16,20)(H,17,22).
What are the key properties of 2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide?
2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide has a molecular weight of 311.39 g/mol, XLogP of -1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide is sourced from PubChem (CID 94751894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).