N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

C19H23F2N3O3 — CID 8732700

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESC[C@@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1F
InChIInChI=1S/C19H23F2N3O3/c1-12(14-7-6-13(20)11-15(14)21)22-16(25)5-4-10-24-17(26)19(23-18(24)27)8-2-3-9-19/h6-7,11-12H,2-5,8-10H2,1H3,(H,22,25)(H,23,27)/t12-/m1/s1
InChIKeyRHJGVSDOSUKZFO-GFCCVEGCSA-N
MW379.41 g/mol
LogP2.79
Rot. Bonds6

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (PubChem CID 8732700) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
PubChem CID8732700
Molecular FormulaC19H23F2N3O3
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
SMILESC[C@@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1F
InChIInChI=1S/C19H23F2N3O3/c1-12(14-7-6-13(20)11-15(14)21)22-16(25)5-4-10-24-17(26)19(23-18(24)27)8-2-3-9-19/h6-7,11-12H,2-5,8-10H2,1H3,(H,22,25)(H,23,27)/t12-/m1/s1
InChIKeyRHJGVSDOSUKZFO-GFCCVEGCSA-N
XLogP2.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 18111423
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 134043349
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 9396548
N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686258
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]butanamide
CID 8756915
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 51214574
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4880191
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 112764254
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 42978759
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8687959
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55453262

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (CID 8732700) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is C[C@@H](NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
The InChIKey is RHJGVSDOSUKZFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c1-12(14-7-6-13(20)11-15(14)21)22-16(25)5-4-10-24-17(26)19(23-18(24)27)8-2-3-9-19/h6-7,11-12H,2-5,8-10H2,1H3,(H,22,25)(H,23,27)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide has a molecular weight of 379.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is sourced from PubChem (CID 8732700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).