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

C19H22N3O2+ — CID 3663475

IUPACN-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H21N3O2/c23-19(21-20-14-16-4-2-1-3-5-16)18-8-6-17(7-9-18)15-22-10-12-24-13-11-22/h1-9,14H,10-13,15H2,(H,21,23)/p+1
InChIKeyNYFWJXAUBXCUKT-UHFFFAOYSA-O
MW324.40 g/mol
LogP0.87
Rot. Bonds5

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

N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide (PubChem CID 3663475) has the molecular formula C19H22N3O2+ and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide
PubChem CID3663475
Molecular FormulaC19H22N3O2+
Molecular Weight324.40 g/mol
Exact Mass324.17
IUPAC NameN-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H21N3O2/c23-19(21-20-14-16-4-2-1-3-5-16)18-8-6-17(7-9-18)15-22-10-12-24-13-11-22/h1-9,14H,10-13,15H2,(H,21,23)/p+1
InChIKeyNYFWJXAUBXCUKT-UHFFFAOYSA-O
XLogP0.87
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 6966568
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
methyl 4-[(Z)-[[4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzoyl]hydrazinylidene]methyl]benzoate
CID 7088024
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-(benzylideneamino)-4-(diethylaminomethyl)benzamide
CID 165351037
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide
CID 7087978
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-(morpholin-4-ylmethyl)-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 1361849
N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
CID 177459672

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The IUPAC name of N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide (CID 3663475) is N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide.
What is the SMILES notation for N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The canonical SMILES for N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide is O=C(NN=Cc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The InChIKey is NYFWJXAUBXCUKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3O2/c23-19(21-20-14-16-4-2-1-3-5-16)18-8-6-17(7-9-18)15-22-10-12-24-13-11-22/h1-9,14H,10-13,15H2,(H,21,23)/p+1.
What are the key properties of N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide has a molecular weight of 324.40 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-(morpholin-4-ium-4-ylmethyl)benzamide is sourced from PubChem (CID 3663475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).