N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C25H25N3O4 — CID 24556797

IUPACN-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NC(c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C25H25N3O4/c29-21(12-15-28-23(30)25(27-24(28)31)13-6-7-14-25)26-22(17-8-2-1-3-9-17)20-16-18-10-4-5-11-19(18)32-20/h1-5,8-11,16,22H,6-7,12-15H2,(H,26,29)(H,27,31)
InChIKeyKEHAACORCKCZOE-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.89
Rot. Bonds6

About N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 24556797) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID24556797
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NC(c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C25H25N3O4/c29-21(12-15-28-23(30)25(27-24(28)31)13-6-7-14-25)26-22(17-8-2-1-3-9-17)20-16-18-10-4-5-11-19(18)32-20/h1-5,8-11,16,22H,6-7,12-15H2,(H,26,29)(H,27,31)
InChIKeyKEHAACORCKCZOE-UHFFFAOYSA-N
XLogP3.89
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
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-[phenyl(pyridin-4-yl)methyl]propanamide
CID 134021260
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 24648979
N-[(S)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150830
N-[(R)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150834
(2R)-2-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366873
N-(3,3-dimethyl-1-phenylbutyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55689995
N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 97014856
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 41144668
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 51727752
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide
CID 55749749
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 41229330

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 24556797) is N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC(c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is KEHAACORCKCZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c29-21(12-15-28-23(30)25(27-24(28)31)13-6-7-14-25)26-22(17-8-2-1-3-9-17)20-16-18-10-4-5-11-19(18)32-20/h1-5,8-11,16,22H,6-7,12-15H2,(H,26,29)(H,27,31).
What are the key properties of N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 431.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 24556797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).