N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide

C19H23N2O2+ — CID 7460088

IUPACN-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H22N2O2/c22-19(20-14-16-4-2-1-3-5-16)18-8-6-17(7-9-18)15-21-10-12-23-13-11-21/h1-9H,10-15H2,(H,20,22)/p+1
InChIKeyKGFHJSQGGGENNY-UHFFFAOYSA-O
MW311.41 g/mol
LogP1.03
Rot. Bonds5

About N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide

N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide (PubChem CID 7460088) has the molecular formula C19H23N2O2+ and a molecular weight of 311.41 g/mol. Its IUPAC name is N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
PubChem CID7460088
Molecular FormulaC19H23N2O2+
Molecular Weight311.41 g/mol
Exact Mass311.18
IUPAC NameN-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H22N2O2/c22-19(20-14-16-4-2-1-3-5-16)18-8-6-17(7-9-18)15-21-10-12-23-13-11-21/h1-9H,10-15H2,(H,20,22)/p+1
InChIKeyKGFHJSQGGGENNY-UHFFFAOYSA-O
XLogP1.03
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzamide
CID 7410516
N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 3663475
4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481322
4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481472
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7457311
4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 6946389
N-benzyl-3-morpholin-4-ium-4-ylpropanamide
CID 2219773
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 2288627
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The IUPAC name of N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide (CID 7460088) is N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide.
What is the SMILES notation for N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The canonical SMILES for N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide is O=C(NCc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1.
What is the InChIKey of N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The InChIKey is KGFHJSQGGGENNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N2O2/c22-19(20-14-16-4-2-1-3-5-16)18-8-6-17(7-9-18)15-21-10-12-23-13-11-21/h1-9H,10-15H2,(H,20,22)/p+1.
What are the key properties of N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide?
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide has a molecular weight of 311.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide is sourced from PubChem (CID 7460088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).