N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

C20H29NO4 — CID 125142021

IUPACN-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
SMILESCc1cc(C)cc([C@@H](O)CNC(=O)CC2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C20H29NO4/c1-14-9-15(2)11-17(10-14)18(22)13-21-19(23)12-16-3-5-20(6-4-16)24-7-8-25-20/h9-11,16,18,22H,3-8,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyZCNMGEDDVNQHJG-SFHVURJKSA-N
MW347.45 g/mol
LogP2.78
Rot. Bonds5

About N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide (PubChem CID 125142021) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
PubChem CID125142021
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC NameN-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
SMILESCc1cc(C)cc([C@@H](O)CNC(=O)CC2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C20H29NO4/c1-14-9-15(2)11-17(10-14)18(22)13-21-19(23)12-16-3-5-20(6-4-16)24-7-8-25-20/h9-11,16,18,22H,3-8,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyZCNMGEDDVNQHJG-SFHVURJKSA-N
XLogP2.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide with MolForge

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Related Compounds

(1S)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-(3-methylphenyl)ethanol
CID 99702923
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide
CID 102852256
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide
CID 102852267
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
(1S)-1-(3,5-dichlorophenyl)-2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethanol
CID 99701851
N-cyclopentyl-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 102852259
2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 111829496
N-(2-hydroxy-2-phenylethyl)-2-piperidin-4-ylacetamide
CID 54910069
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
N-(3,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468728
2-(1-ethylpiperidin-4-yl)-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]acetamide
CID 97206459
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 72844263

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide (CID 125142021) is N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide is Cc1cc(C)cc([C@@H](O)CNC(=O)CC2CCC3(CC2)OCCO3)c1.
What is the InChIKey of N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is ZCNMGEDDVNQHJG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29NO4/c1-14-9-15(2)11-17(10-14)18(22)13-21-19(23)12-16-3-5-20(6-4-16)24-7-8-25-20/h9-11,16,18,22H,3-8,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 347.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 125142021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).