3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H32N4O4 — CID 70729398

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN[C@@H](C)C(=O)N1CCC2(CC1)CN(CCN(C)CCOC)C(=O)O2
InChIInChI=1S/C17H32N4O4/c1-14(18-2)15(22)20-7-5-17(6-8-20)13-21(16(23)25-17)10-9-19(3)11-12-24-4/h14,18H,5-13H2,1-4H3/t14-/m0/s1
InChIKeyBLPKJNVMVBJISA-AWEZNQCLSA-N
MW356.47 g/mol
LogP-0.01
Rot. Bonds8

About 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70729398) has the molecular formula C17H32N4O4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70729398
Molecular FormulaC17H32N4O4
Molecular Weight356.47 g/mol
Exact Mass356.24
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN[C@@H](C)C(=O)N1CCC2(CC1)CN(CCN(C)CCOC)C(=O)O2
InChIInChI=1S/C17H32N4O4/c1-14(18-2)15(22)20-7-5-17(6-8-20)13-21(16(23)25-17)10-9-19(3)11-12-24-4/h14,18H,5-13H2,1-4H3/t14-/m0/s1
InChIKeyBLPKJNVMVBJISA-AWEZNQCLSA-N
XLogP-0.01
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70780104
3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-(3-piperidinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70782635
8-beta-Alanyl-3-[2-(4-isopropyl-1-piperazinyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70714820
3-[2-(4-ethyl-1-piperazinyl)ethyl]-8-(N-methyl-L-alanyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70724574
3-[2-(4-ethyl-1-piperazinyl)ethyl]-8-D-prolyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70741001
tert-butyl N-[1-[1-[2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanoyl]pyrrolidin-3-yl]ethyl]carbamate
CID 75449078
1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 164633323
(4S)-4-(4-hydroxy-4-propylpiperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 164635133
tert-butyl N-[(2S)-1-[[(2S,3R)-1-[(2S)-2-[(fluoroamino)methyl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 144232799
t-Butyl (2s)-2-{[(2s)-4-methyl-1-(morpholin4-yl)-1-oxopentan-2-yl]carbamoyl}pyrrolidine-1carboxylate
CID 145997657
tert-butyl N-[4-fluoro-1-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 166296387
3-(3-Methylbutyl)-8-[(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70733414

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70729398) is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN[C@@H](C)C(=O)N1CCC2(CC1)CN(CCN(C)CCOC)C(=O)O2.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BLPKJNVMVBJISA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H32N4O4/c1-14(18-2)15(22)20-7-5-17(6-8-20)13-21(16(23)25-17)10-9-19(3)11-12-24-4/h14,18H,5-13H2,1-4H3/t14-/m0/s1.
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 356.47 g/mol, XLogP of -0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70729398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).