3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride

C15H27ClN4O3 — CID 120653070

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-3-16-11(2)10-17-12(20)6-9-19-13(21)15(18-14(19)22)7-4-5-8-15;/h11,16H,3-10H2,1-2H3,(H,17,20)(H,18,22);1H/t11-;/m1./s1
InChIKeyHUJDLDYQLOVODV-RFVHGSKJSA-N
MW346.86 g/mol
LogP0.78
Rot. Bonds7

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

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride (PubChem CID 120653070) has the molecular formula C15H27ClN4O3 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
PubChem CID120653070
Molecular FormulaC15H27ClN4O3
Molecular Weight346.86 g/mol
Exact Mass346.18
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-3-16-11(2)10-17-12(20)6-9-19-13(21)15(18-14(19)22)7-4-5-8-15;/h11,16H,3-10H2,1-2H3,(H,17,20)(H,18,22);1H/t11-;/m1./s1
InChIKeyHUJDLDYQLOVODV-RFVHGSKJSA-N
XLogP0.78
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 50.78
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

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
CID 119506024
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-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]butanamide
CID 8756915
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119606539
N-[(2R)-2-(ethylamino)propyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 120651150
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450875
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
N-(1-adamantylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17472285
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 24551077
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride (CID 120653070) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride is CCN[C@H](C)CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O.Cl.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride?
The InChIKey is HUJDLDYQLOVODV-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H26N4O3.ClH/c1-3-16-11(2)10-17-12(20)6-9-19-13(21)15(18-14(19)22)7-4-5-8-15;/h11,16H,3-10H2,1-2H3,(H,17,20)(H,18,22);1H/t11-;/m1./s1.
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 0.78, 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-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120653070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).