tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate

C15H26N4O4 — CID 118994691

IUPACtert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate
SMILESCOCCN1C(=O)C2(CCNCC2)N=C1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O4/c1-14(2,3)23-13(21)17-12-18-15(5-7-16-8-6-15)11(20)19(12)9-10-22-4/h16H,5-10H2,1-4H3,(H,17,18,21)
InChIKeyFGGCVYBUTKBUIE-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.48
Rot. Bonds3

About tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate

tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate (PubChem CID 118994691) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate
PubChem CID118994691
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Nametert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate
SMILESCOCCN1C(=O)C2(CCNCC2)N=C1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O4/c1-14(2,3)23-13(21)17-12-18-15(5-7-16-8-6-15)11(20)19(12)9-10-22-4/h16H,5-10H2,1-4H3,(H,17,18,21)
InChIKeyFGGCVYBUTKBUIE-UHFFFAOYSA-N
XLogP0.48
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate 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-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 50953560
Lithium 1-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]ethoxycarbonyl]piperidine-4-carboxylate
CID 59099494
Butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 46984062
2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 47000215
tert-butyl N-ethyl-N-[[1-[N-ethyl-N'-[2-(2-methoxyethylamino)-2-oxoethyl]carbamimidoyl]piperidin-4-yl]methyl]carbamate
CID 109563336
tert-butyl N-[[1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)carbamimidoyl]piperidin-4-yl]methyl]-N-ethylcarbamate
CID 110044525
tert-butyl N-[3-methyl-1-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]butan-2-yl]carbamate
CID 112157593
ethyl 4-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxy-2-methylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 112170893
tert-butyl N-[1-[[N-methyl-C-[4-(morpholine-4-carbonyl)piperidin-1-yl]carbonimidoyl]amino]pentan-2-yl]carbamate
CID 112401030
(Z)-tert-Butyl (3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-2-ylidene)carbamate oxalate
CID 118994113
tert-butyl N-(3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate
CID 118994114
tert-butyl N-(4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)carbamate
CID 118994116

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate (CID 118994691) is tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate is COCCN1C(=O)C2(CCNCC2)N=C1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate?
The InChIKey is FGGCVYBUTKBUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-14(2,3)23-13(21)17-12-18-15(5-7-16-8-6-15)11(20)19(12)9-10-22-4/h16H,5-10H2,1-4H3,(H,17,18,21).
What are the key properties of tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate?
tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-methoxyethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl]carbamate is sourced from PubChem (CID 118994691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).