N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide

C17H28N4O4 — CID 25397724

IUPACN-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC(=O)NC(C)(C)C)C2=O
InChIInChI=1S/C17H28N4O4/c1-11-7-5-6-8-17(11)14(24)21(15(25)20-17)10-13(23)18-9-12(22)19-16(2,3)4/h11H,5-10H2,1-4H3,(H,18,23)(H,19,22)(H,20,25)/t11-,17-/m0/s1
InChIKeyAPJPBHFLAZDYOA-GTNSWQLSSA-N
MW352.44 g/mol
LogP0.52
Rot. Bonds4

About N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide

N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (PubChem CID 25397724) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
PubChem CID25397724
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC NameN-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC(=O)NC(C)(C)C)C2=O
InChIInChI=1S/C17H28N4O4/c1-11-7-5-6-8-17(11)14(24)21(15(25)20-17)10-13(23)18-9-12(22)19-16(2,3)4/h11H,5-10H2,1-4H3,(H,18,23)(H,19,22)(H,20,25)/t11-,17-/m0/s1
InChIKeyAPJPBHFLAZDYOA-GTNSWQLSSA-N
XLogP0.52
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide 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

2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 25444061
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571798
N-(2-methylbutan-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8572076
N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8572074
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide
CID 27927864
N-(2-aminoethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119384509
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
N-cyclohexyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2681010
N-carbamoyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703407

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (CID 25397724) is N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCC(=O)NC(C)(C)C)C2=O.
What is the InChIKey of N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The InChIKey is APJPBHFLAZDYOA-GTNSWQLSSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-11-7-5-6-8-17(11)14(24)21(15(25)20-17)10-13(23)18-9-12(22)19-16(2,3)4/h11H,5-10H2,1-4H3,(H,18,23)(H,19,22)(H,20,25)/t11-,17-/m0/s1.
What are the key properties of N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide has a molecular weight of 352.44 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is sourced from PubChem (CID 25397724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).