N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide

C21H25NO5 — CID 156608381

IUPACN-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
SMILESCCOC1COCCC1NC(=O)c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H25NO5/c1-3-26-20-14-25-13-12-19(20)22-21(23)15-4-6-17(7-5-15)27-18-10-8-16(24-2)9-11-18/h4-11,19-20H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyGWQPWYLGXNJGBG-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.41
Rot. Bonds7

About N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide

N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide (PubChem CID 156608381) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide.

Molecular Properties

Compound NameN-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
PubChem CID156608381
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC NameN-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
SMILESCCOC1COCCC1NC(=O)c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H25NO5/c1-3-26-20-14-25-13-12-19(20)22-21(23)15-4-6-17(7-5-15)27-18-10-8-16(24-2)9-11-18/h4-11,19-20H,3,12-14H2,1-2H3,(H,22,23)
InChIKeyGWQPWYLGXNJGBG-UHFFFAOYSA-N
XLogP3.41
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505
N-(3-ethoxyoxan-4-yl)acetamide
CID 131089007
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259
N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide
CID 146504792
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 91778744
2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
CID 91774837
4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91762413
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
4-[(3S,4R)-4-[(2-ethylpyrimidine-5-carbonyl)amino]oxan-3-yl]oxybenzoic acid
CID 91791344

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide?
The IUPAC name of N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide (CID 156608381) is N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide.
What is the SMILES notation for N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide?
The canonical SMILES for N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide is CCOC1COCCC1NC(=O)c1ccc(Oc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide?
The InChIKey is GWQPWYLGXNJGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-26-20-14-25-13-12-19(20)22-21(23)15-4-6-17(7-5-15)27-18-10-8-16(24-2)9-11-18/h4-11,19-20H,3,12-14H2,1-2H3,(H,22,23).
What are the key properties of N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide?
N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide has a molecular weight of 371.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide is sourced from PubChem (CID 156608381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).