2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H28N2O3 — CID 97119810

IUPAC2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](C(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1)c1ccccc1
InChIInChI=1S/C20H28N2O3/c1-16(17-5-3-2-4-6-17)19(25)21-11-9-20(10-12-21)8-7-18(24)22(15-20)13-14-23/h2-6,16,23H,7-15H2,1H3/t16-/m1/s1
InChIKeyZHOBXJCJMGESRF-MRXNPFEDSA-N
MW344.45 g/mol
LogP2.01
Rot. Bonds4

About 2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97119810) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97119810
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](C(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1)c1ccccc1
InChIInChI=1S/C20H28N2O3/c1-16(17-5-3-2-4-6-17)19(25)21-11-9-20(10-12-21)8-7-18(24)22(15-20)13-14-23/h2-6,16,23H,7-15H2,1H3/t16-/m1/s1
InChIKeyZHOBXJCJMGESRF-MRXNPFEDSA-N
XLogP2.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypropyl)-9-[(2R)-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97110647
2-(2-methoxyethyl)-9-[(2R)-3-methyl-2-phenylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152362
9-(2-methylsulfanylpropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72877158
2-(2-hydroxyethyl)-9-(2-pyrazol-1-ylbutanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72846712
2-ethyl-9-[(2R)-2-(methylamino)-2-phenylacetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97126301
9-[(2S)-2-hydroxy-4-methylpentanoyl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97118574
2-benzyl-9-[(2S)-2-methylsulfanylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152355
9-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72897950
2-[3-oxo-9-(3-phenylbutyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70712410
9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72894988
2-benzyl-9-(2-ethylsulfanylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72922405
2-benzyl-9-[3-(dimethylamino)-2-methylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72937334

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97119810) is 2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one is C[C@@H](C(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1)c1ccccc1.
What is the InChIKey of 2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZHOBXJCJMGESRF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-16(17-5-3-2-4-6-17)19(25)21-11-9-20(10-12-21)8-7-18(24)22(15-20)13-14-23/h2-6,16,23H,7-15H2,1H3/t16-/m1/s1.
What are the key properties of 2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97119810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).