N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide

C16H22N2O4 — CID 77086310

IUPACN-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
SMILESO=C(NCC1COCCO1)c1ccccc1N1CCOCC1
InChIInChI=1S/C16H22N2O4/c19-16(17-11-13-12-21-9-10-22-13)14-3-1-2-4-15(14)18-5-7-20-8-6-18/h1-4,13H,5-12H2,(H,17,19)
InChIKeyAKZMIYONLKNKCT-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.67
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide

N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide (PubChem CID 77086310) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
PubChem CID77086310
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
SMILESO=C(NCC1COCCO1)c1ccccc1N1CCOCC1
InChIInChI=1S/C16H22N2O4/c19-16(17-11-13-12-21-9-10-22-13)14-3-1-2-4-15(14)18-5-7-20-8-6-18/h1-4,13H,5-12H2,(H,17,19)
InChIKeyAKZMIYONLKNKCT-UHFFFAOYSA-N
XLogP0.67
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
2-morpholin-4-yl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]benzamide
CID 97081663
2-morpholin-4-ylbenzohydrazide
CID 7148386
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 82829560
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide
CID 97013900
N-(1,4-dioxan-2-ylmethyl)-2-(4-fluorobenzoyl)benzamide
CID 71938613
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide
CID 97013902

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide (CID 77086310) is N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide is O=C(NCC1COCCO1)c1ccccc1N1CCOCC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide?
The InChIKey is AKZMIYONLKNKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-16(17-11-13-12-21-9-10-22-13)14-3-1-2-4-15(14)18-5-7-20-8-6-18/h1-4,13H,5-12H2,(H,17,19).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide?
N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide has a molecular weight of 306.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 77086310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).