2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

C21H26N3O4+ — CID 7155155

IUPAC2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-17-8-6-16(7-9-17)20(25)23-19-5-3-2-4-18(19)21(26)22-10-11-24-12-14-28-15-13-24/h2-9H,10-15H2,1H3,(H,22,26)(H,23,25)/p+1
InChIKeyPNZPFZJHVCAYFI-UHFFFAOYSA-O
MW384.46 g/mol
LogP0.59
Rot. Bonds7

About 2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide (PubChem CID 7155155) has the molecular formula C21H26N3O4+ and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
PubChem CID7155155
Molecular FormulaC21H26N3O4+
Molecular Weight384.46 g/mol
Exact Mass384.19
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-17-8-6-16(7-9-17)20(25)23-19-5-3-2-4-18(19)21(26)22-10-11-24-12-14-28-15-13-24/h2-9H,10-15H2,1H3,(H,22,26)(H,23,25)/p+1
InChIKeyPNZPFZJHVCAYFI-UHFFFAOYSA-O
XLogP0.59
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
N-[2-(ethylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 119509230
4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide
CID 7618207
N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55855187
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
CID 43834667
N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 7258640
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537859
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8781761
2-[(4-methoxybenzoyl)amino]-N-(3-phenylprop-2-ynyl)benzamide
CID 55524183

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide (CID 7155155) is 2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCC[NH+]2CCOCC2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The InChIKey is PNZPFZJHVCAYFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O4/c1-27-17-8-6-16(7-9-17)20(25)23-19-5-3-2-4-18(19)21(26)22-10-11-24-12-14-28-15-13-24/h2-9H,10-15H2,1H3,(H,22,26)(H,23,25)/p+1.
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide has a molecular weight of 384.46 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide is sourced from PubChem (CID 7155155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).