5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide

C22H33N3O2 — CID 72896512

IUPAC5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide
SMILESCCN1CC(c2ccccc2)CC2(CCN(C(=O)CCCC(N)=O)CC2)C1
InChIInChI=1S/C22H33N3O2/c1-2-24-16-19(18-7-4-3-5-8-18)15-22(17-24)11-13-25(14-12-22)21(27)10-6-9-20(23)26/h3-5,7-8,19H,2,6,9-17H2,1H3,(H2,23,26)
InChIKeyHYZIYHZZLHAMCR-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.76
Rot. Bonds6

About 5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide

5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide (PubChem CID 72896512) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide
PubChem CID72896512
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide
SMILESCCN1CC(c2ccccc2)CC2(CCN(C(=O)CCCC(N)=O)CC2)C1
InChIInChI=1S/C22H33N3O2/c1-2-24-16-19(18-7-4-3-5-8-18)15-22(17-24)11-13-25(14-12-22)21(27)10-6-9-20(23)26/h3-5,7-8,19H,2,6,9-17H2,1H3,(H2,23,26)
InChIKeyHYZIYHZZLHAMCR-UHFFFAOYSA-N
XLogP2.76
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
CID 72859950
1-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97118763
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97149228
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1H-pyrrol-2-yl)methanone
CID 72881187
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97128654
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-(4-hydroxyphenyl)methanone
CID 72920228
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
CID 72864845
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97155661
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxyphenyl)methanone
CID 97156118
(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97130354

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide?
The IUPAC name of 5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide (CID 72896512) is 5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide.
What is the SMILES notation for 5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide?
The canonical SMILES for 5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide is CCN1CC(c2ccccc2)CC2(CCN(C(=O)CCCC(N)=O)CC2)C1.
What is the InChIKey of 5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide?
The InChIKey is HYZIYHZZLHAMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-2-24-16-19(18-7-4-3-5-8-18)15-22(17-24)11-13-25(14-12-22)21(27)10-6-9-20(23)26/h3-5,7-8,19H,2,6,9-17H2,1H3,(H2,23,26).
What are the key properties of 5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide?
5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide has a molecular weight of 371.53 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide is sourced from PubChem (CID 72896512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).