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

C19H25N3O3 — CID 95158015

IUPAC(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)c1ccccc1
InChIInChI=1S/C19H25N3O3/c1-13(15-8-4-3-5-9-15)12-20-16(23)14(2)22-17(24)19(21-18(22)25)10-6-7-11-19/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,20,23)(H,21,25)/t13-,14+/m1/s1
InChIKeySCXQFKPEALBAHT-KGLIPLIRSA-N
MW343.43 g/mol
LogP2.16
Rot. Bonds5

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

(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 95158015) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID95158015
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)c1ccccc1
InChIInChI=1S/C19H25N3O3/c1-13(15-8-4-3-5-9-15)12-20-16(23)14(2)22-17(24)19(21-18(22)25)10-6-7-11-19/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,20,23)(H,21,25)/t13-,14+/m1/s1
InChIKeySCXQFKPEALBAHT-KGLIPLIRSA-N
XLogP2.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.16
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

[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821600
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7609905
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-(1,1-diphenylethyl)propanamide
CID 56522565
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylpropanamide
CID 112775763
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120947256
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119548530
3-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl-methylamino]propanoic acid
CID 119362768
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119570259
(2S)-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 52866558
(2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
CID 2373539

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide (CID 95158015) is (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide is C[C@H](CNC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)c1ccccc1.
What is the InChIKey of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is SCXQFKPEALBAHT-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(15-8-4-3-5-9-15)12-20-16(23)14(2)22-17(24)19(21-18(22)25)10-6-7-11-19/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,20,23)(H,21,25)/t13-,14+/m1/s1.
What are the key properties of (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide?
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 95158015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).