4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide

C21H25N2O3+ — CID 7372335

IUPAC4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-13-26-20-9-7-19(8-10-20)22-21(24)18-5-3-17(4-6-18)16-23-11-14-25-15-12-23/h2-10H,1,11-16H2,(H,22,24)/p+1
InChIKeyVYFBORCYLPCPIU-UHFFFAOYSA-O
MW353.44 g/mol
LogP1.92
Rot. Bonds7

About 4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide

4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide (PubChem CID 7372335) has the molecular formula C21H25N2O3+ and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide
PubChem CID7372335
Molecular FormulaC21H25N2O3+
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide
SMILESC=CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-13-26-20-9-7-19(8-10-20)22-21(24)18-5-3-17(4-6-18)16-23-11-14-25-15-12-23/h2-10H,1,11-16H2,(H,22,24)/p+1
InChIKeyVYFBORCYLPCPIU-UHFFFAOYSA-O
XLogP1.92
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046550
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide
CID 39940708
4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6958043
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
4-butoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 7312503
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 4748638
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide?
The IUPAC name of 4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide (CID 7372335) is 4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide.
What is the SMILES notation for 4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide?
The canonical SMILES for 4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide is C=CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide?
The InChIKey is VYFBORCYLPCPIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N2O3/c1-2-13-26-20-9-7-19(8-10-20)22-21(24)18-5-3-17(4-6-18)16-23-11-14-25-15-12-23/h2-10H,1,11-16H2,(H,22,24)/p+1.
What are the key properties of 4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide?
4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide has a molecular weight of 353.44 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide is sourced from PubChem (CID 7372335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).