9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H25ClN2O3 — CID 72894988

IUPAC9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1c(Cl)cccc1C(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1
InChIInChI=1S/C19H25ClN2O3/c1-14-15(3-2-4-16(14)20)18(25)21-9-7-19(8-10-21)6-5-17(24)22(13-19)11-12-23/h2-4,23H,5-13H2,1H3
InChIKeyCOTHMZCGVPUVLX-UHFFFAOYSA-N
MW364.87 g/mol
LogP2.49
Rot. Bonds3

About 9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72894988) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72894988
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1c(Cl)cccc1C(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1
InChIInChI=1S/C19H25ClN2O3/c1-14-15(3-2-4-16(14)20)18(25)21-9-7-19(8-10-21)6-5-17(24)22(13-19)11-12-23/h2-4,23H,5-13H2,1H3
InChIKeyCOTHMZCGVPUVLX-UHFFFAOYSA-N
XLogP2.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72894988) is 9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1c(Cl)cccc1C(=O)N1CCC2(CCC(=O)N(CCO)C2)CC1.
What is the InChIKey of 9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is COTHMZCGVPUVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-14-15(3-2-4-16(14)20)18(25)21-9-7-19(8-10-21)6-5-17(24)22(13-19)11-12-23/h2-4,23H,5-13H2,1H3.
What are the key properties of 9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.87 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72894988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).