N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide

C18H29N2O3+ — CID 2184720

IUPACN-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NCCC[NH+]2CCOCC2)c1
InChIInChI=1S/C18H28N2O3/c1-14-11-15(2)16(3)17(12-14)23-13-18(21)19-5-4-6-20-7-9-22-10-8-20/h11-12H,4-10,13H2,1-3H3,(H,19,21)/p+1
InChIKeyHMINGIKDORAFAN-UHFFFAOYSA-O
MW321.44 g/mol
LogP0.41
Rot. Bonds7

About N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide

N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 2184720) has the molecular formula C18H29N2O3+ and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID2184720
Molecular FormulaC18H29N2O3+
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC NameN-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)NCCC[NH+]2CCOCC2)c1
InChIInChI=1S/C18H28N2O3/c1-14-11-15(2)16(3)17(12-14)23-13-18(21)19-5-4-6-20-7-9-22-10-8-20/h11-12H,4-10,13H2,1-3H3,(H,19,21)/p+1
InChIKeyHMINGIKDORAFAN-UHFFFAOYSA-O
XLogP0.41
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 7034625
2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 4694933
4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide
CID 6942433
N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 9355065
N-[(3,4,5-trimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 36568354
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
1-[4-(2,3,5-trimethylphenoxy)butyl]pyrrolidin-1-ium
CID 2057664
N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119405735
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2291522
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 30715668
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7371488
N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9472886

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide (CID 2184720) is N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)NCCC[NH+]2CCOCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is HMINGIKDORAFAN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N2O3/c1-14-11-15(2)16(3)17(12-14)23-13-18(21)19-5-4-6-20-7-9-22-10-8-20/h11-12H,4-10,13H2,1-3H3,(H,19,21)/p+1.
What are the key properties of N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide?
N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 321.44 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 2184720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).