3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide

C19H27N3O2 — CID 70746799

IUPAC3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
SMILESNC(=O)CCN1CCCC2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C19H27N3O2/c20-17(23)8-12-21-11-4-9-19(14-21)10-7-18(24)22(15-19)13-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15H2,(H2,20,23)
InChIKeyNFFMYRMTEBGVEH-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.77
Rot. Bonds5

About 3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide

3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide (PubChem CID 70746799) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide.

Molecular Properties

Compound Name3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
PubChem CID70746799
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
SMILESNC(=O)CCN1CCCC2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C19H27N3O2/c20-17(23)8-12-21-11-4-9-19(14-21)10-7-18(24)22(15-19)13-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15H2,(H2,20,23)
InChIKeyNFFMYRMTEBGVEH-UHFFFAOYSA-N
XLogP1.77
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872077
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide
CID 70739252
(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95885755
2-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-tert-butylacetamide
CID 95871224
(6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896628
(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95870066
(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896111
4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide
CID 95873204
N,N-dimethyl-2-[3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 70714257
4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide?
The IUPAC name of 3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide (CID 70746799) is 3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide.
What is the SMILES notation for 3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide?
The canonical SMILES for 3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide is NC(=O)CCN1CCCC2(CCC(=O)N(Cc3ccccc3)C2)C1.
What is the InChIKey of 3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide?
The InChIKey is NFFMYRMTEBGVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-17(23)8-12-21-11-4-9-19(14-21)10-7-18(24)22(15-19)13-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15H2,(H2,20,23).
What are the key properties of 3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide?
3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide has a molecular weight of 329.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide is sourced from PubChem (CID 70746799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).