N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide

C18H25N3O4 — CID 131932759

IUPACN-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
SMILESCC(=O)N1CCOC(CNC(=O)c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C18H25N3O4/c1-14(22)21-8-11-25-15(13-21)12-19-18(23)16-4-2-3-5-17(16)20-6-9-24-10-7-20/h2-5,15H,6-13H2,1H3,(H,19,23)
InChIKeyVLNJIWAMNXQXAT-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.50
Rot. Bonds4

About N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide

N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide (PubChem CID 131932759) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
PubChem CID131932759
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
SMILESCC(=O)N1CCOC(CNC(=O)c2ccccc2N2CCOCC2)C1
InChIInChI=1S/C18H25N3O4/c1-14(22)21-8-11-25-15(13-21)12-19-18(23)16-4-2-3-5-17(16)20-6-9-24-10-7-20/h2-5,15H,6-13H2,1H3,(H,19,23)
InChIKeyVLNJIWAMNXQXAT-UHFFFAOYSA-N
XLogP0.50
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
CID 77086310
N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 56758878
2-(4-acetamidopiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 46037624
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
2-morpholin-4-yl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]benzamide
CID 97081663
2-morpholin-4-ylbenzohydrazide
CID 7148386
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide
CID 125174342
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038581
2-[4-(ethylcarbamoylamino)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93324275

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide (CID 131932759) is N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide is CC(=O)N1CCOC(CNC(=O)c2ccccc2N2CCOCC2)C1.
What is the InChIKey of N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide?
The InChIKey is VLNJIWAMNXQXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-14(22)21-8-11-25-15(13-21)12-19-18(23)16-4-2-3-5-17(16)20-6-9-24-10-7-20/h2-5,15H,6-13H2,1H3,(H,19,23).
What are the key properties of N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide?
N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 131932759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).