2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

C21H28N2O3 — CID 70777892

IUPAC2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cc1ccccc1O)N1CCCC2(CCC(=O)N(CC3CC3)C2)C1
InChIInChI=1S/C21H28N2O3/c24-18-5-2-1-4-17(18)12-20(26)22-11-3-9-21(14-22)10-8-19(25)23(15-21)13-16-6-7-16/h1-2,4-5,16,24H,3,6-15H2
InChIKeyXTCKVOLVLIZCNX-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.58
Rot. Bonds4

About 2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70777892) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70777892
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cc1ccccc1O)N1CCCC2(CCC(=O)N(CC3CC3)C2)C1
InChIInChI=1S/C21H28N2O3/c24-18-5-2-1-4-17(18)12-20(26)22-11-3-9-21(14-22)10-8-19(25)23(15-21)13-16-6-7-16/h1-2,4-5,16,24H,3,6-15H2
InChIKeyXTCKVOLVLIZCNX-UHFFFAOYSA-N
XLogP2.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethyl)-8-(2-hydroxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72916173
2-cyclopentyl-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70771950
(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97156784
2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72938926
2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72923432
(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97132229
2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72936923
(6R)-2-ethyl-8-[2-(2-hydroxyphenoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95881198
(6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97204156
9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680583
2-(2-hydroxyethyl)-8-[2-[4-(hydroxymethyl)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70756626
2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72878667

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70777892) is 2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C(Cc1ccccc1O)N1CCCC2(CCC(=O)N(CC3CC3)C2)C1.
What is the InChIKey of 2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is XTCKVOLVLIZCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-18-5-2-1-4-17(18)12-20(26)22-11-3-9-21(14-22)10-8-19(25)23(15-21)13-16-6-7-16/h1-2,4-5,16,24H,3,6-15H2.
What are the key properties of 2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70777892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).