3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide

C14H24N4O3 — CID 119506024

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H24N4O3/c1-2-15-8-9-16-11(19)5-10-18-12(20)14(17-13(18)21)6-3-4-7-14/h15H,2-10H2,1H3,(H,16,19)(H,17,21)
InChIKeyWHIGGOBPGDAJBF-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.03
Rot. Bonds7

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide (PubChem CID 119506024) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
PubChem CID119506024
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H24N4O3/c1-2-15-8-9-16-11(19)5-10-18-12(20)14(17-13(18)21)6-3-4-7-14/h15H,2-10H2,1H3,(H,16,19)(H,17,21)
InChIKeyWHIGGOBPGDAJBF-UHFFFAOYSA-N
XLogP-0.03
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120653070
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55877167
N-[2-(4-chlorophenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9453956
N-(2-aminoethyl)-3-(8-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanamide
CID 94755207
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 9483144
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 9206336
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17472285

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide (CID 119506024) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide is CCNCCNC(=O)CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide?
The InChIKey is WHIGGOBPGDAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-2-15-8-9-16-11(19)5-10-18-12(20)14(17-13(18)21)6-3-4-7-14/h15H,2-10H2,1H3,(H,16,19)(H,17,21).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide has a molecular weight of 296.37 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide is sourced from PubChem (CID 119506024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).