4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide

C17H27N2O2+ — CID 6942433

IUPAC4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCC[NH+]2CCOCC2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-13-11-14(2)17(15(3)12-13)18-16(20)5-4-6-19-7-9-21-10-8-19/h11-12H,4-10H2,1-3H3,(H,18,20)/p+1
InChIKeyMYMPGJXTYMQSIF-UHFFFAOYSA-O
MW291.42 g/mol
LogP1.25
Rot. Bonds5

About 4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide

4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 6942433) has the molecular formula C17H27N2O2+ and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID6942433
Molecular FormulaC17H27N2O2+
Molecular Weight291.42 g/mol
Exact Mass291.21
IUPAC Name4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCC[NH+]2CCOCC2)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-13-11-14(2)17(15(3)12-13)18-16(20)5-4-6-19-7-9-21-10-8-19/h11-12H,4-10H2,1-3H3,(H,18,20)/p+1
InChIKeyMYMPGJXTYMQSIF-UHFFFAOYSA-O
XLogP1.25
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 7034625
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 3421987
N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2184720
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 3656753
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2291522
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 4742368
N-(2,6-dimethyl-4-morpholin-4-ylphenyl)octanamide
CID 11508231

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide (CID 6942433) is 4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(NC(=O)CCC[NH+]2CCOCC2)c(C)c1.
What is the InChIKey of 4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is MYMPGJXTYMQSIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26N2O2/c1-13-11-14(2)17(15(3)12-13)18-16(20)5-4-6-19-7-9-21-10-8-19/h11-12H,4-10H2,1-3H3,(H,18,20)/p+1.
What are the key properties of 4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide?
4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 291.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 6942433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).