[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride

C18H23ClN2O4 — CID 44664906

IUPAC[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride
SMILESCOc1cc(C[NH2+]CC(O)c2ccccc2)ccc1OCC(N)=O.[Cl-]
InChIInChI=1S/C18H22N2O4.ClH/c1-23-17-9-13(7-8-16(17)24-12-18(19)22)10-20-11-15(21)14-5-3-2-4-6-14;/h2-9,15,20-21H,10-12H2,1H3,(H2,19,22);1H
InChIKeyLPTUHIRHTFPEGP-UHFFFAOYSA-N
MW366.85 g/mol
LogP-2.64
Rot. Bonds9

About [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride

[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride (PubChem CID 44664906) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride.

Molecular Properties

Compound Name[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride
PubChem CID44664906
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride
SMILESCOc1cc(C[NH2+]CC(O)c2ccccc2)ccc1OCC(N)=O.[Cl-]
InChIInChI=1S/C18H22N2O4.ClH/c1-23-17-9-13(7-8-16(17)24-12-18(19)22)10-20-11-15(21)14-5-3-2-4-6-14;/h2-9,15,20-21H,10-12H2,1H3,(H2,19,22);1H
InChIKeyLPTUHIRHTFPEGP-UHFFFAOYSA-N
XLogP-2.64
TPSA98.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 5-2.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 2215420
2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
CID 21233673
[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 2217310
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 8638256
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride
CID 21233351
4-(2-amino-2-oxoethoxy)-N-(2,2-diphenylethyl)-3-methoxybenzamide
CID 55415145
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 7632140
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
CID 55414528

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride?
The IUPAC name of [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride (CID 44664906) is [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride.
What is the SMILES notation for [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride?
The canonical SMILES for [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride is COc1cc(C[NH2+]CC(O)c2ccccc2)ccc1OCC(N)=O.[Cl-].
What is the InChIKey of [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride?
The InChIKey is LPTUHIRHTFPEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4.ClH/c1-23-17-9-13(7-8-16(17)24-12-18(19)22)10-20-11-15(21)14-5-3-2-4-6-14;/h2-9,15,20-21H,10-12H2,1H3,(H2,19,22);1H.
What are the key properties of [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride?
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride has a molecular weight of 366.85 g/mol, XLogP of -2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride is sourced from PubChem (CID 44664906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).