(2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C20H26BrN3O3 — CID 52866558

IUPAC(2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESC[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C20H26BrN3O3/c1-13(5-6-15-7-9-16(21)10-8-15)22-17(25)14(2)24-18(26)20(23-19(24)27)11-3-4-12-20/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)(H,23,27)/t13-,14+/m1/s1
InChIKeyIKKKGIXJSKRWGT-KGLIPLIRSA-N
MW436.35 g/mol
LogP3.14
Rot. Bonds6

About (2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

(2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 52866558) has the molecular formula C20H26BrN3O3 and a molecular weight of 436.35 g/mol. Its IUPAC name is (2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID52866558
Molecular FormulaC20H26BrN3O3
Molecular Weight436.35 g/mol
Exact Mass435.12
IUPAC Name(2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESC[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C20H26BrN3O3/c1-13(5-6-15-7-9-16(21)10-8-15)22-17(25)14(2)24-18(26)20(23-19(24)27)11-3-4-12-20/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)(H,23,27)/t13-,14+/m1/s1
InChIKeyIKKKGIXJSKRWGT-KGLIPLIRSA-N
XLogP3.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119548530
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
2-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]phenyl]acetic acid
CID 119353211
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-[(2S)-2-phenylpropyl]propanamide
CID 95158015
N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119590492
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119570259
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(1,1-diphenylethyl)propanamide
CID 56522565
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52513400
8-[2-(4-bromophenyl)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494059
(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-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120947256

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of (2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 52866558) is (2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for (2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is C[C@H](CCc1ccc(Br)cc1)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of (2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is IKKKGIXJSKRWGT-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H26BrN3O3/c1-13(5-6-15-7-9-16(21)10-8-15)22-17(25)14(2)24-18(26)20(23-19(24)27)11-3-4-12-20/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)(H,23,27)/t13-,14+/m1/s1.
What are the key properties of (2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
(2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 436.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 52866558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).