(2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide

C20H25N3O4 — CID 2428270

IUPAC(2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)N2C(=O)NC3(CCCCCC3)C2=O)c1
InChIInChI=1S/C20H25N3O4/c1-13(17(25)21-16-9-7-8-15(12-16)14(2)24)23-18(26)20(22-19(23)27)10-5-3-4-6-11-20/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,21,25)(H,22,27)/t13-/m1/s1
InChIKeyFKPSLGMPQDVNES-CYBMUJFWSA-N
MW371.44 g/mol
LogP2.86
Rot. Bonds4

About (2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide

(2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide (PubChem CID 2428270) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
PubChem CID2428270
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)N2C(=O)NC3(CCCCCC3)C2=O)c1
InChIInChI=1S/C20H25N3O4/c1-13(17(25)21-16-9-7-8-15(12-16)14(2)24)23-18(26)20(22-19(23)27)10-5-3-4-6-11-20/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,21,25)(H,22,27)/t13-/m1/s1
InChIKeyFKPSLGMPQDVNES-CYBMUJFWSA-N
XLogP2.86
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.86
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

(2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
CID 2373539
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55308746
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9329114
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52513400
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3630449
2-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]phenyl]acetic acid
CID 119353211
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 2430041
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide
CID 56522565
(2R)-N-(3-acetylphenyl)-2-[(1R,2S,6R,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 98089476
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 95158015
(2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide
CID 7916507

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide (CID 2428270) is (2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)N2C(=O)NC3(CCCCCC3)C2=O)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide?
The InChIKey is FKPSLGMPQDVNES-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(17(25)21-16-9-7-8-15(12-16)14(2)24)23-18(26)20(22-19(23)27)10-5-3-4-6-11-20/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,21,25)(H,22,27)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide?
(2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide has a molecular weight of 371.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide is sourced from PubChem (CID 2428270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).