2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride

C18H22ClN2O4- — CID 21233673

IUPAC2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
SMILESCOc1cc(CNCC(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/p-1
InChIKeyLPTUHIRHTFPEGP-UHFFFAOYSA-M
MW365.84 g/mol
LogP-1.61
Rot. Bonds9

About 2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride

2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride (PubChem CID 21233673) has the molecular formula C18H22ClN2O4- and a molecular weight of 365.84 g/mol. Its IUPAC name is 2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride.

Molecular Properties

Compound Name2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
PubChem CID21233673
Molecular FormulaC18H22ClN2O4-
Molecular Weight365.84 g/mol
Exact Mass365.13
IUPAC Name2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
SMILESCOc1cc(CNCC(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/p-1
InChIKeyLPTUHIRHTFPEGP-UHFFFAOYSA-M
XLogP-1.61
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride
CID 21233351
N-tert-butyl-2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 17295542
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride
CID 44664906
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 27004665
3-[2-[(3,4-dimethoxyphenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride
CID 138402625
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride?
The IUPAC name of 2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride (CID 21233673) is 2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride.
What is the SMILES notation for 2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride?
The canonical SMILES for 2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride is COc1cc(CNCC(O)c2ccccc2)ccc1OCC(N)=O.[Cl-].
What is the InChIKey of 2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride?
The InChIKey is LPTUHIRHTFPEGP-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride?
2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride has a molecular weight of 365.84 g/mol, XLogP of -1.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride is sourced from PubChem (CID 21233673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).