3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide

C19H27N3O3S — CID 52523120

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
SMILESCC(C)[C@@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1cccs1
InChIInChI=1S/C19H27N3O3S/c1-13(2)16(14-7-6-12-26-14)20-15(23)8-11-22-17(24)19(21-18(22)25)9-4-3-5-10-19/h6-7,12-13,16H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,25)/t16-/m1/s1
InChIKeyRRSZQPAEPMTOAG-MRXNPFEDSA-N
MW377.51 g/mol
LogP3.21
Rot. Bonds6

About 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide (PubChem CID 52523120) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
PubChem CID52523120
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
SMILESCC(C)[C@@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1cccs1
InChIInChI=1S/C19H27N3O3S/c1-13(2)16(14-7-6-12-26-14)20-15(23)8-11-22-17(24)19(21-18(22)25)9-4-3-5-10-19/h6-7,12-13,16H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,25)/t16-/m1/s1
InChIKeyRRSZQPAEPMTOAG-MRXNPFEDSA-N
XLogP3.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.21
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

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 51214574
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 41144668
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55615013
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
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 134021260
2-(1-aminocyclopentyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 64685035
(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-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46960745
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 9396712

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide (CID 52523120) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide is CC(C)[C@@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1cccs1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
The InChIKey is RRSZQPAEPMTOAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-13(2)16(14-7-6-12-26-14)20-15(23)8-11-22-17(24)19(21-18(22)25)9-4-3-5-10-19/h6-7,12-13,16H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,25)/t16-/m1/s1.
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide has a molecular weight of 377.51 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide is sourced from PubChem (CID 52523120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).