N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride

C16H29ClN4O3 — CID 119606539

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O.Cl
InChIInChI=1S/C16H28N4O3.ClH/c1-11(2)15(3,10-17)18-12(21)6-9-20-13(22)16(19-14(20)23)7-4-5-8-16;/h11H,4-10,17H2,1-3H3,(H,18,21)(H,19,23);1H
InChIKeyASGAQNBTWWSFFL-UHFFFAOYSA-N
MW360.89 g/mol
LogP1.15
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride (PubChem CID 119606539) has the molecular formula C16H29ClN4O3 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
PubChem CID119606539
Molecular FormulaC16H29ClN4O3
Molecular Weight360.89 g/mol
Exact Mass360.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O.Cl
InChIInChI=1S/C16H28N4O3.ClH/c1-11(2)15(3,10-17)18-12(21)6-9-20-13(22)16(19-14(20)23)7-4-5-8-16;/h11H,4-10,17H2,1-3H3,(H,18,21)(H,19,23);1H
InChIKeyASGAQNBTWWSFFL-UHFFFAOYSA-N
XLogP1.15
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 51.15
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-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide;hydrochloride
CID 119606902
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120653070
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119601938
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119525936
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119608170
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119610181
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119570020
N-(3,3-dimethyl-1-phenylbutyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55689995
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
CID 119506024
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9476594

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride (CID 119606539) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride is CC(C)C(C)(CN)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
The InChIKey is ASGAQNBTWWSFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3.ClH/c1-11(2)15(3,10-17)18-12(21)6-9-20-13(22)16(19-14(20)23)7-4-5-8-16;/h11H,4-10,17H2,1-3H3,(H,18,21)(H,19,23);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119606539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).