2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide

C23H36N2O2 — CID 71124951

IUPAC2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide
SMILESCOc1ccc(C(C)N2CC(CNC(=O)CC3CCCCC3)C2)c(C)c1C
InChIInChI=1S/C23H36N2O2/c1-16-17(2)22(27-4)11-10-21(16)18(3)25-14-20(15-25)13-24-23(26)12-19-8-6-5-7-9-19/h10-11,18-20H,5-9,12-15H2,1-4H3,(H,24,26)
InChIKeyUZBZWYDLTMFWFR-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.39
Rot. Bonds7

About 2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide

2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide (PubChem CID 71124951) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide
PubChem CID71124951
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide
SMILESCOc1ccc(C(C)N2CC(CNC(=O)CC3CCCCC3)C2)c(C)c1C
InChIInChI=1S/C23H36N2O2/c1-16-17(2)22(27-4)11-10-21(16)18(3)25-14-20(15-25)13-24-23(26)12-19-8-6-5-7-9-19/h10-11,18-20H,5-9,12-15H2,1-4H3,(H,24,26)
InChIKeyUZBZWYDLTMFWFR-UHFFFAOYSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
CID 69186784
[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]methanamine
CID 69192601
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
CID 60972004
1-acetyl-N-[[1-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]azetidin-3-yl]methyl]piperidine-3-carboxamide
CID 71124615
N-[[1-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]piperidin-3-yl]methyl]-3-fluoro-4-methoxybenzamide
CID 143623007
2-cyclohexyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144509
2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 51098673
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 46590599
2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide
CID 52539243
3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide
CID 71124578
N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide
CID 71124690

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide (CID 71124951) is 2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide is COc1ccc(C(C)N2CC(CNC(=O)CC3CCCCC3)C2)c(C)c1C.
What is the InChIKey of 2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide?
The InChIKey is UZBZWYDLTMFWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-16-17(2)22(27-4)11-10-21(16)18(3)25-14-20(15-25)13-24-23(26)12-19-8-6-5-7-9-19/h10-11,18-20H,5-9,12-15H2,1-4H3,(H,24,26).
What are the key properties of 2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide?
2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide has a molecular weight of 372.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide is sourced from PubChem (CID 71124951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).