2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide

C23H30N2O3 — CID 126772184

IUPAC2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1cccc(CNC(=O)CN2CC(c3ccccc3)OCC2(C)C)c1
InChIInChI=1S/C23H30N2O3/c1-23(2)17-28-21(20-10-5-4-6-11-20)14-25(23)15-22(26)24-13-18-8-7-9-19(12-18)16-27-3/h4-12,21H,13-17H2,1-3H3,(H,24,26)
InChIKeyHKCVXZQSSXSTJU-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.30
Rot. Bonds7

About 2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide

2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 126772184) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID126772184
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1cccc(CNC(=O)CN2CC(c3ccccc3)OCC2(C)C)c1
InChIInChI=1S/C23H30N2O3/c1-23(2)17-28-21(20-10-5-4-6-11-20)14-25(23)15-22(26)24-13-18-8-7-9-19(12-18)16-27-3/h4-12,21H,13-17H2,1-3H3,(H,24,26)
InChIKeyHKCVXZQSSXSTJU-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 87015230
(3S,4S)-1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120954430
(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
CID 51727918
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
N-cyclopropyl-2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-methylacetamide
CID 126782419
1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796668
2-[3-(hydroxymethyl)piperidin-1-yl]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 111750191
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87012687
5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid
CID 54896405

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide (CID 126772184) is 2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide is COCc1cccc(CNC(=O)CN2CC(c3ccccc3)OCC2(C)C)c1.
What is the InChIKey of 2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is HKCVXZQSSXSTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-23(2)17-28-21(20-10-5-4-6-11-20)14-25(23)15-22(26)24-13-18-8-7-9-19(12-18)16-27-3/h4-12,21H,13-17H2,1-3H3,(H,24,26).
What are the key properties of 2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide?
2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2-phenylmorpholin-4-yl)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 126772184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).