N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide

C18H32N4O4 — CID 70749603

IUPACN-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide
SMILESCCCC(NC(C)=O)C(=O)N1CCC2(CC1)CN(CCN(C)C)C(=O)O2
InChIInChI=1S/C18H32N4O4/c1-5-6-15(19-14(2)23)16(24)21-9-7-18(8-10-21)13-22(17(25)26-18)12-11-20(3)4/h15H,5-13H2,1-4H3,(H,19,23)
InChIKeyOGKCNAOMTGIMMO-UHFFFAOYSA-N
MW368.48 g/mol
LogP0.67
Rot. Bonds7

About N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide

N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide (PubChem CID 70749603) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide
PubChem CID70749603
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC NameN-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide
SMILESCCCC(NC(C)=O)C(=O)N1CCC2(CC1)CN(CCN(C)C)C(=O)O2
InChIInChI=1S/C18H32N4O4/c1-5-6-15(19-14(2)23)16(24)21-9-7-18(8-10-21)13-22(17(25)26-18)12-11-20(3)4/h15H,5-13H2,1-4H3,(H,19,23)
InChIKeyOGKCNAOMTGIMMO-UHFFFAOYSA-N
XLogP0.67
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-Carbamoyl-ethylcarbamoyl)-2-methyl-propylcarbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 655333
{1-[1-(2-Carbamoyl-pyrrolidine-1-carbonyl)-2-methyl-butylcarbamoyl]-2-methyl-butyl}-carbamic acid tert-butyl ester
CID 651588
2-[1-(Carbamoylmethyl-carbamoyl)-3-methyl-butylcarbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 656029
tert-butyl N-[(2S)-1-[(2S)-2-[[1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 155549651
Boc-Val-Pro-DL-Val-NMe2
CID 155568893
8-beta-Alanyl-3-[2-(4-isopropyl-1-piperazinyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70714820
tert-Butyloxycarbonyl-prolyl-2-aminoisobutyryl-alanyl-2-aminoisobutyrate methyl ester
CID 5492314
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-Methyl-8-(1-piperidin-4-ylprolyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70737039
Boc-Pro-Leu-Gly-NH2
CID 7205285
Boc-Pro-Ala-OtBu
CID 164674438
methyl 1-(tert-butoxycarbonyl)-D-prolyl-D-leucylglycinate
CID 7076443

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide?
The IUPAC name of N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide (CID 70749603) is N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide?
The canonical SMILES for N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide is CCCC(NC(C)=O)C(=O)N1CCC2(CC1)CN(CCN(C)C)C(=O)O2.
What is the InChIKey of N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide?
The InChIKey is OGKCNAOMTGIMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c1-5-6-15(19-14(2)23)16(24)21-9-7-18(8-10-21)13-22(17(25)26-18)12-11-20(3)4/h15H,5-13H2,1-4H3,(H,19,23).
What are the key properties of N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide?
N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(dimethylamino)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 70749603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).