N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide

C15H23N2O4+ — CID 4742368

IUPACN-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide
SMILESCOc1ccc(NC(=O)CC[NH+]2CCOCC2)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-19-12-3-4-13(14(11-12)20-2)16-15(18)5-6-17-7-9-21-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)/p+1
InChIKeyCUTHMKQBRIUQAD-UHFFFAOYSA-O
MW295.36 g/mol
LogP-0.05
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide

N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide (PubChem CID 4742368) has the molecular formula C15H23N2O4+ and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide
PubChem CID4742368
Molecular FormulaC15H23N2O4+
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide
SMILESCOc1ccc(NC(=O)CC[NH+]2CCOCC2)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-19-12-3-4-13(14(11-12)20-2)16-15(18)5-6-17-7-9-21-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)/p+1
InChIKeyCUTHMKQBRIUQAD-UHFFFAOYSA-O
XLogP-0.05
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide
CID 5059200
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
2-(azocan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2655327
N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9259349
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139
(2S)-4-(2,5-dimethoxyanilino)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-oxobutanoate
CID 7422216
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide (CID 4742368) is N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide is COc1ccc(NC(=O)CC[NH+]2CCOCC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide?
The InChIKey is CUTHMKQBRIUQAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O4/c1-19-12-3-4-13(14(11-12)20-2)16-15(18)5-6-17-7-9-21-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)/p+1.
What are the key properties of N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide?
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide has a molecular weight of 295.36 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide is sourced from PubChem (CID 4742368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).