2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

C15H23N2O4+ — CID 71598518

IUPAC2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCOc1cc(CC(=O)NCC[NH+]2CCOCC2)ccc1O
InChIInChI=1S/C15H22N2O4/c1-20-14-10-12(2-3-13(14)18)11-15(19)16-4-5-17-6-8-21-9-7-17/h2-3,10,18H,4-9,11H2,1H3,(H,16,19)/p+1
InChIKeyCZUQAXAWBOEBHN-UHFFFAOYSA-O
MW295.36 g/mol
LogP-1.03
Rot. Bonds6

About 2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (PubChem CID 71598518) has the molecular formula C15H23N2O4+ and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
PubChem CID71598518
Molecular FormulaC15H23N2O4+
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCOc1cc(CC(=O)NCC[NH+]2CCOCC2)ccc1O
InChIInChI=1S/C15H22N2O4/c1-20-14-10-12(2-3-13(14)18)11-15(19)16-4-5-17-6-8-21-9-7-17/h2-3,10,18H,4-9,11H2,1H3,(H,16,19)/p+1
InChIKeyCZUQAXAWBOEBHN-UHFFFAOYSA-O
XLogP-1.03
TPSA72.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propyl-[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propylazaniumyl]butyl]azanium
CID 71597495
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
2-(2,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 2634680
2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]ethyl (2S,3S)-2-amino-3-methylpentanoate
CID 101136611
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 71788625
2,4-dimethoxy-N-(2-morpholin-4-ium-4-ylethyl)benzenecarbothioamide
CID 7332467
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
1-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 135689874
1-[(2,3-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperidin-1-ium-4-carboxamide
CID 6966263
2-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113199047

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (CID 71598518) is 2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is COc1cc(CC(=O)NCC[NH+]2CCOCC2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The InChIKey is CZUQAXAWBOEBHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O4/c1-20-14-10-12(2-3-13(14)18)11-15(19)16-4-5-17-6-8-21-9-7-17/h2-3,10,18H,4-9,11H2,1H3,(H,16,19)/p+1.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide has a molecular weight of 295.36 g/mol, XLogP of -1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is sourced from PubChem (CID 71598518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).