N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide

C18H29N3O3 — CID 98897256

IUPACN-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)CC1
InChIInChI=1S/C18H29N3O3/c1-14(22)19-12-16(23)20-10-7-18(8-11-20)6-3-9-21(17(18)24)13-15-4-2-5-15/h15H,2-13H2,1H3,(H,19,22)
InChIKeyVPGDJWUHUDDUPK-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.15
Rot. Bonds4

About N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide

N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide (PubChem CID 98897256) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
PubChem CID98897256
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)CC1
InChIInChI=1S/C18H29N3O3/c1-14(22)19-12-16(23)20-10-7-18(8-11-20)6-3-9-21(17(18)24)13-15-4-2-5-15/h15H,2-13H2,1H3,(H,19,22)
InChIKeyVPGDJWUHUDDUPK-UHFFFAOYSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(5S)-7-(cyclohexylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]acetamide
CID 26405192
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
ethyl 2-[[(5R)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]amino]acetate
CID 25278147
(5S)-7-(cyclobutylmethyl)-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195518
(5R)-7-(cyclobutylmethyl)-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97137057
7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72903089
7-(cyclobutylmethyl)-2-[2-[2-methoxyethyl(methyl)amino]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72939680
(5R)-7-(cyclobutylmethyl)-2-(4-propylthiadiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97136329
9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131650241
7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922914
7-(cyclobutylmethyl)-2-(2-pyrimidin-2-ylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72898239
(5R)-7-(cyclobutylmethyl)-2-[3-(1-methylpyrazol-4-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26404662

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide (CID 98897256) is N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC2(CCCN(CC3CCC3)C2=O)CC1.
What is the InChIKey of N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
The InChIKey is VPGDJWUHUDDUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14(22)19-12-16(23)20-10-7-18(8-11-20)6-3-9-21(17(18)24)13-15-4-2-5-15/h15H,2-13H2,1H3,(H,19,22).
What are the key properties of N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 98897256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).