N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide

C15H23N2O2+ — CID 3421987

IUPACN-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide
SMILESCc1ccc(NC(=O)CC[NH+]2CCOCC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-12-3-4-14(11-13(12)2)16-15(18)5-6-17-7-9-19-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)/p+1
InChIKeyDWYLQTWDVDAJLV-UHFFFAOYSA-O
MW263.36 g/mol
LogP0.55
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide

N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide (PubChem CID 3421987) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide
PubChem CID3421987
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide
SMILESCc1ccc(NC(=O)CC[NH+]2CCOCC2)cc1C
InChIInChI=1S/C15H22N2O2/c1-12-3-4-14(11-13(12)2)16-15(18)5-6-17-7-9-19-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)/p+1
InChIKeyDWYLQTWDVDAJLV-UHFFFAOYSA-O
XLogP0.55
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 4742128
N'-(3,4-dimethylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 2201388
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ium-4-ylpropanamide
CID 5094869
N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343858
4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide
CID 6942433
1-(1-acetylpiperidin-4-yl)-3-(3,4-dimethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 4533939
N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649726
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 4742368
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazine-1,4-diium-1-yl)propanamide
CID 5081244
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 4678806
ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 4755803

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide (CID 3421987) is N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide is Cc1ccc(NC(=O)CC[NH+]2CCOCC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide?
The InChIKey is DWYLQTWDVDAJLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O2/c1-12-3-4-14(11-13(12)2)16-15(18)5-6-17-7-9-19-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)/p+1.
What are the key properties of N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide?
N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide has a molecular weight of 263.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide is sourced from PubChem (CID 3421987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).