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

C18H22ClN3O3 — CID 2373539

IUPAC(2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C18H22ClN3O3/c1-12(15(23)20-14-8-6-7-13(19)11-14)22-16(24)18(21-17(22)25)9-4-2-3-5-10-18/h6-8,11-12H,2-5,9-10H2,1H3,(H,20,23)(H,21,25)/t12-/m0/s1
InChIKeyOVNRMKIJHOUAPI-LBPRGKRZSA-N
MW363.85 g/mol
LogP3.31
Rot. Bonds3

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

(2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide (PubChem CID 2373539) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
PubChem CID2373539
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C18H22ClN3O3/c1-12(15(23)20-14-8-6-7-13(19)11-14)22-16(24)18(21-17(22)25)9-4-2-3-5-10-18/h6-8,11-12H,2-5,9-10H2,1H3,(H,20,23)(H,21,25)/t12-/m0/s1
InChIKeyOVNRMKIJHOUAPI-LBPRGKRZSA-N
XLogP3.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.31
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

(2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
CID 2428270
(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-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55308746
3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3630449
(2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide
CID 7916507
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821390
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9329114
(2S)-N-(3-chlorophenyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 7916821
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylpropanamide
CID 112775763
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52513400
2-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]phenyl]acetic acid
CID 119353211
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 41144250

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide (CID 2373539) is (2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide is C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)NC2(CCCCCC2)C1=O.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide?
The InChIKey is OVNRMKIJHOUAPI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-12(15(23)20-14-8-6-7-13(19)11-14)22-16(24)18(21-17(22)25)9-4-2-3-5-10-18/h6-8,11-12H,2-5,9-10H2,1H3,(H,20,23)(H,21,25)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide?
(2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide has a molecular weight of 363.85 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide is sourced from PubChem (CID 2373539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).