2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide

C15H22ClN3O3 — CID 6471305

IUPAC2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(Cl)cc1CNCCN1CCOCC1
InChIInChI=1S/C15H22ClN3O3/c16-13-1-2-14(22-11-15(17)20)12(9-13)10-18-3-4-19-5-7-21-8-6-19/h1-2,9,18H,3-8,10-11H2,(H2,17,20)
InChIKeyJOEQYVIRFIGDIZ-UHFFFAOYSA-N
MW327.81 g/mol
LogP0.63
Rot. Bonds8

About 2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide

2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide (PubChem CID 6471305) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide
PubChem CID6471305
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(Cl)cc1CNCCN1CCOCC1
InChIInChI=1S/C15H22ClN3O3/c16-13-1-2-14(22-11-15(17)20)12(9-13)10-18-3-4-19-5-7-21-8-6-19/h1-2,9,18H,3-8,10-11H2,(H2,17,20)
InChIKeyJOEQYVIRFIGDIZ-UHFFFAOYSA-N
XLogP0.63
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053988
2-[4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17054063
N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride
CID 11958772
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17295138
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17054022
3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 102663922
2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17054047
N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883333
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65316209
3-[(5-chloro-2-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585143
2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide
CID 17053298

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide (CID 6471305) is 2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide is NC(=O)COc1ccc(Cl)cc1CNCCN1CCOCC1.
What is the InChIKey of 2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide?
The InChIKey is JOEQYVIRFIGDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c16-13-1-2-14(22-11-15(17)20)12(9-13)10-18-3-4-19-5-7-21-8-6-19/h1-2,9,18H,3-8,10-11H2,(H2,17,20).
What are the key properties of 2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide?
2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide has a molecular weight of 327.81 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 6471305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).