4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

C18H29N2O3+ — CID 7379816

IUPAC4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
SMILESCC(C)COc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-15(2)14-23-17-6-4-16(5-7-17)18(21)19-8-3-9-20-10-12-22-13-11-20/h4-7,15H,3,8-14H2,1-2H3,(H,19,21)/p+1
InChIKeyTUUIWDQKXSFUMZ-UHFFFAOYSA-O
MW321.44 g/mol
LogP0.76
Rot. Bonds8

About 4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide (PubChem CID 7379816) has the molecular formula C18H29N2O3+ and a molecular weight of 321.44 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
PubChem CID7379816
Molecular FormulaC18H29N2O3+
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC Name4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
SMILESCC(C)COc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-15(2)14-23-17-6-4-16(5-7-17)18(21)19-8-3-9-20-10-12-22-13-11-20/h4-7,15H,3,8-14H2,1-2H3,(H,19,21)/p+1
InChIKeyTUUIWDQKXSFUMZ-UHFFFAOYSA-O
XLogP0.76
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide
CID 7028281
lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
CID 23705726
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide
CID 7618207
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7371488
4-chloro-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitrobenzamide
CID 7326589
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropoxy)benzamide
CID 65032098
2-(4-ethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)quinoline-4-carboxamide
CID 5095371

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide (CID 7379816) is 4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide is CC(C)COc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide?
The InChIKey is TUUIWDQKXSFUMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N2O3/c1-15(2)14-23-17-6-4-16(5-7-17)18(21)19-8-3-9-20-10-12-22-13-11-20/h4-7,15H,3,8-14H2,1-2H3,(H,19,21)/p+1.
What are the key properties of 4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide?
4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide has a molecular weight of 321.44 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide is sourced from PubChem (CID 7379816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).