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

C16H28N4O3 — CID 119570259

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCCC(CC)(CN)NC(=O)C(C)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H28N4O3/c1-4-15(5-2,10-17)18-12(21)11(3)20-13(22)16(19-14(20)23)8-6-7-9-16/h11H,4-10,17H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyONDDKRNGHFWZII-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.87
Rot. Bonds6

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

N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 119570259) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID119570259
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESCCC(CC)(CN)NC(=O)C(C)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H28N4O3/c1-4-15(5-2,10-17)18-12(21)11(3)20-13(22)16(19-14(20)23)8-6-7-9-16/h11H,4-10,17H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyONDDKRNGHFWZII-UHFFFAOYSA-N
XLogP0.87
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119570020
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide
CID 56522565
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119590492
tert-butyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 66337928
2-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]phenyl]acetic acid
CID 119353211
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119548530
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylpropanamide
CID 112775763
3-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 120809899
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 95158015
(2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 52866558
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120947256

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 119570259) is N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is CCC(CC)(CN)NC(=O)C(C)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is ONDDKRNGHFWZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-4-15(5-2,10-17)18-12(21)11(3)20-13(22)16(19-14(20)23)8-6-7-9-16/h11H,4-10,17H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 324.43 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 119570259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).