N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide

C21H26FN3O3 — CID 34578471

IUPACN-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C1NC2(CCCCC2)C(=O)N1CCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C21H26FN3O3/c22-17-7-3-2-6-15(17)14-25(16-8-9-16)18(26)10-13-24-19(27)21(23-20(24)28)11-4-1-5-12-21/h2-3,6-7,16H,1,4-5,8-14H2,(H,23,28)
InChIKeyKLLNUORNYLXBTC-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.96
Rot. Bonds6

About N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide

N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 34578471) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID34578471
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC NameN-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESO=C1NC2(CCCCC2)C(=O)N1CCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C21H26FN3O3/c22-17-7-3-2-6-15(17)14-25(16-8-9-16)18(26)10-13-24-19(27)21(23-20(24)28)11-4-1-5-12-21/h2-3,6-7,16H,1,4-5,8-14H2,(H,23,28)
InChIKeyKLLNUORNYLXBTC-UHFFFAOYSA-N
XLogP2.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 24549331
N-cyclohexyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46632464
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 27845838
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24524450
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 17413624
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
N-cyclopropyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 8572165
2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid
CID 122067050
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41312570
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 55664217

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide (CID 34578471) is N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide is O=C1NC2(CCCCC2)C(=O)N1CCC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is KLLNUORNYLXBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c22-17-7-3-2-6-15(17)14-25(16-8-9-16)18(26)10-13-24-19(27)21(23-20(24)28)11-4-1-5-12-21/h2-3,6-7,16H,1,4-5,8-14H2,(H,23,28).
What are the key properties of N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide?
N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 387.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 34578471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).