N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide

C17H27N2O3+ — CID 7371488

IUPACN-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-14(2)15-3-5-16(6-4-15)22-13-17(20)18-7-8-19-9-11-21-12-10-19/h3-6,14H,7-13H2,1-2H3,(H,18,20)/p+1
InChIKeyPLZSKKLQJZEWPE-UHFFFAOYSA-O
MW307.41 g/mol
LogP0.22
Rot. Bonds7

About N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 7371488) has the molecular formula C17H27N2O3+ and a molecular weight of 307.41 g/mol. Its IUPAC name is N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID7371488
Molecular FormulaC17H27N2O3+
Molecular Weight307.41 g/mol
Exact Mass307.20
IUPAC NameN-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-14(2)15-3-5-16(6-4-15)22-13-17(20)18-7-8-19-9-11-21-12-10-19/h3-6,14H,7-13H2,1-2H3,(H,18,20)/p+1
InChIKeyPLZSKKLQJZEWPE-UHFFFAOYSA-O
XLogP0.22
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 4694933
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide
CID 7746055
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7457741
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 45155087
2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 4920014
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 7633718
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108541576

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 7371488) is N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1.
What is the InChIKey of N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is PLZSKKLQJZEWPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26N2O3/c1-14(2)15-3-5-16(6-4-15)22-13-17(20)18-7-8-19-9-11-21-12-10-19/h3-6,14H,7-13H2,1-2H3,(H,18,20)/p+1.
What are the key properties of N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 307.41 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 7371488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).