2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C23H36N2O4 — CID 45143531

IUPAC2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCOc1ccccc1C1(CC(=O)NCCCN2CCOCC2)CCOC(C)(C)C1
InChIInChI=1S/C23H36N2O4/c1-22(2)18-23(9-14-29-22,19-7-4-5-8-20(19)27-3)17-21(26)24-10-6-11-25-12-15-28-16-13-25/h4-5,7-8H,6,9-18H2,1-3H3,(H,24,26)
InChIKeyGPPHRBFQHOGYAG-UHFFFAOYSA-N
MW404.55 g/mol
LogP2.75
Rot. Bonds8

About 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 45143531) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID45143531
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC Name2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCOc1ccccc1C1(CC(=O)NCCCN2CCOCC2)CCOC(C)(C)C1
InChIInChI=1S/C23H36N2O4/c1-22(2)18-23(9-14-29-22,19-7-4-5-8-20(19)27-3)17-21(26)24-10-6-11-25-12-15-28-16-13-25/h4-5,7-8H,6,9-18H2,1-3H3,(H,24,26)
InChIKeyGPPHRBFQHOGYAG-UHFFFAOYSA-N
XLogP2.75
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 45143532
2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]acetamide
CID 919628
1-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-4-methylpiperazine;oxalic acid
CID 90485878
2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 45143533
4-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 47717791
2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1427129
2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide
CID 118766604
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
1-[2-[(4R)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]pyrrolidine-2,5-dione
CID 7087291
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-(2-hydroxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 78784092
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 45143531) is 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is COc1ccccc1C1(CC(=O)NCCCN2CCOCC2)CCOC(C)(C)C1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is GPPHRBFQHOGYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4/c1-22(2)18-23(9-14-29-22,19-7-4-5-8-20(19)27-3)17-21(26)24-10-6-11-25-12-15-28-16-13-25/h4-5,7-8H,6,9-18H2,1-3H3,(H,24,26).
What are the key properties of 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 404.55 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 45143531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).