4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide

C22H27NO5 — CID 58923734

IUPAC4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide
SMILESCOCOc1ccc(C(=O)NCC2CCC(COc3ccccc3)CO2)cc1
InChIInChI=1S/C22H27NO5/c1-25-16-28-20-11-8-18(9-12-20)22(24)23-13-21-10-7-17(15-27-21)14-26-19-5-3-2-4-6-19/h2-6,8-9,11-12,17,21H,7,10,13-16H2,1H3,(H,23,24)
InChIKeyZCFKBLBTISBPIM-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.27
Rot. Bonds9

About 4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide

4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide (PubChem CID 58923734) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide
PubChem CID58923734
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide
SMILESCOCOc1ccc(C(=O)NCC2CCC(COc3ccccc3)CO2)cc1
InChIInChI=1S/C22H27NO5/c1-25-16-28-20-11-8-18(9-12-20)22(24)23-13-21-10-7-17(15-27-21)14-26-19-5-3-2-4-6-19/h2-6,8-9,11-12,17,21H,7,10,13-16H2,1H3,(H,23,24)
InChIKeyZCFKBLBTISBPIM-UHFFFAOYSA-N
XLogP3.27
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide
CID 58923644
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
[(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine
CID 129389570
3-amino-N-[[5-[(4-ethylphenoxy)methyl]oxan-2-yl]methyl]-2-methyl-1,3-dihydropyrazole-4-carboxamide
CID 143092644
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 38211752
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide
CID 144993930
N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 94016602
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide?
The IUPAC name of 4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide (CID 58923734) is 4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide is COCOc1ccc(C(=O)NCC2CCC(COc3ccccc3)CO2)cc1.
What is the InChIKey of 4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide?
The InChIKey is ZCFKBLBTISBPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-25-16-28-20-11-8-18(9-12-20)22(24)23-13-21-10-7-17(15-27-21)14-26-19-5-3-2-4-6-19/h2-6,8-9,11-12,17,21H,7,10,13-16H2,1H3,(H,23,24).
What are the key properties of 4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide?
4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide has a molecular weight of 385.46 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-N-[[5-(phenoxymethyl)oxan-2-yl]methyl]benzamide is sourced from PubChem (CID 58923734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).