N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide

C21H29NO4 — CID 5079873

IUPACN-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide
SMILESCC1CCCC(NC(=O)COc2ccc3c(c2)C(=O)CC(C)(C)O3)C1C
InChIInChI=1S/C21H29NO4/c1-13-6-5-7-17(14(13)2)22-20(24)12-25-15-8-9-19-16(10-15)18(23)11-21(3,4)26-19/h8-10,13-14,17H,5-7,11-12H2,1-4H3,(H,22,24)
InChIKeyMFAGBRHIFQUHPQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.75
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide

N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide (PubChem CID 5079873) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide
PubChem CID5079873
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide
SMILESCC1CCCC(NC(=O)COc2ccc3c(c2)C(=O)CC(C)(C)O3)C1C
InChIInChI=1S/C21H29NO4/c1-13-6-5-7-17(14(13)2)22-20(24)12-25-15-8-9-19-16(10-15)18(23)11-21(3,4)26-19/h8-10,13-14,17H,5-7,11-12H2,1-4H3,(H,22,24)
InChIKeyMFAGBRHIFQUHPQ-UHFFFAOYSA-N
XLogP3.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916036
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914731
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(3,5-dimethylphenoxy)acetamide
CID 11919770
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-nitrophenoxy)acetamide
CID 11907144
2-(3,5-dichlorophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11906049
2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917453
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-fluorophenyl)-4-oxochromen-7-yl]oxyacetamide
CID 7440373
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 108743056
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 11917580
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7860463
N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793143

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide (CID 5079873) is N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide is CC1CCCC(NC(=O)COc2ccc3c(c2)C(=O)CC(C)(C)O3)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide?
The InChIKey is MFAGBRHIFQUHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-13-6-5-7-17(14(13)2)22-20(24)12-25-15-8-9-19-16(10-15)18(23)11-21(3,4)26-19/h8-10,13-14,17H,5-7,11-12H2,1-4H3,(H,22,24).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide?
N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide has a molecular weight of 359.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]acetamide is sourced from PubChem (CID 5079873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).