N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide

C18H26N2O4 — CID 91764505

IUPACN-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-2-24-17-13-23-10-7-16(17)19-18(21)14-3-5-15(6-4-14)20-8-11-22-12-9-20/h3-6,16-17H,2,7-13H2,1H3,(H,19,21)/t16-,17-/m1/s1
InChIKeyALZOZRSAHUDOGA-IAGOWNOFSA-N
MW334.42 g/mol
LogP1.45
Rot. Bonds5

About N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide

N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide (PubChem CID 91764505) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
PubChem CID91764505
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-2-24-17-13-23-10-7-16(17)19-18(21)14-3-5-15(6-4-14)20-8-11-22-12-9-20/h3-6,16-17H,2,7-13H2,1H3,(H,19,21)/t16-,17-/m1/s1
InChIKeyALZOZRSAHUDOGA-IAGOWNOFSA-N
XLogP1.45
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
CID 156608381
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 91761594
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 91766537
N-(3-ethoxyoxan-4-yl)acetamide
CID 131089007
N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 91794402
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259
2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid
CID 91793018
2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
CID 91774837
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361
4-fluoro-3-hydroxy-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91770821
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91776740

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide (CID 91764505) is N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide is CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is ALZOZRSAHUDOGA-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-24-17-13-23-10-7-16(17)19-18(21)14-3-5-15(6-4-14)20-8-11-22-12-9-20/h3-6,16-17H,2,7-13H2,1H3,(H,19,21)/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide?
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 91764505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).