4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide

C22H27NO3 — CID 91768176

IUPAC4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
SMILESCOc1cccc(-c2ccc(C(=O)N(C)CCC3CCOCC3)cc2)c1
InChIInChI=1S/C22H27NO3/c1-23(13-10-17-11-14-26-15-12-17)22(24)19-8-6-18(7-9-19)20-4-3-5-21(16-20)25-2/h3-9,16-17H,10-15H2,1-2H3
InChIKeyGHVMDMIOUNKHAD-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.25
Rot. Bonds6

About 4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide

4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide (PubChem CID 91768176) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
PubChem CID91768176
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
SMILESCOc1cccc(-c2ccc(C(=O)N(C)CCC3CCOCC3)cc2)c1
InChIInChI=1S/C22H27NO3/c1-23(13-10-17-11-14-26-15-12-17)22(24)19-8-6-18(7-9-19)20-4-3-5-21(16-20)25-2/h3-9,16-17H,10-15H2,1-2H3
InChIKeyGHVMDMIOUNKHAD-UHFFFAOYSA-N
XLogP4.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine
CID 91844313
3-methoxy-N,4-dimethyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60914907
2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 72885539
2-[(3-fluorophenoxy)methyl]-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42240074
N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 25448457
4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 77097945
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
4-[4-(3-methoxyphenyl)phenyl]oxane-4-carboxylic acid
CID 169449694
3-methoxy-N-methyl-N-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 50817892
methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
CID 134801658
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide (CID 91768176) is 4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide is COc1cccc(-c2ccc(C(=O)N(C)CCC3CCOCC3)cc2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide?
The InChIKey is GHVMDMIOUNKHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-23(13-10-17-11-14-26-15-12-17)22(24)19-8-6-18(7-9-19)20-4-3-5-21(16-20)25-2/h3-9,16-17H,10-15H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide?
4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide has a molecular weight of 353.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 91768176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).