2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

C18H28N2O3 — CID 46684440

IUPAC2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCc1cccc(OCC(=O)NCC2CN(CC(C)C)CCO2)c1
InChIInChI=1S/C18H28N2O3/c1-14(2)11-20-7-8-22-17(12-20)10-19-18(21)13-23-16-6-4-5-15(3)9-16/h4-6,9,14,17H,7-8,10-13H2,1-3H3,(H,19,21)
InChIKeyJHTHFYQYYHRJRE-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.85
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 46684440) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID46684440
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCc1cccc(OCC(=O)NCC2CN(CC(C)C)CCO2)c1
InChIInChI=1S/C18H28N2O3/c1-14(2)11-20-7-8-22-17(12-20)10-19-18(21)13-23-16-6-4-5-15(3)9-16/h4-6,9,14,17H,7-8,10-13H2,1-3H3,(H,19,21)
InChIKeyJHTHFYQYYHRJRE-UHFFFAOYSA-N
XLogP1.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684442
2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 60594057
2-(4-benzoylphenoxy)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 8511173
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide
CID 100672511
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55602923
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
2-(3-methylphenoxy)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110726002
methyl 2-methyl-2-[[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]-3-phenoxypropanoate
CID 56542230
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
N-[(4-benzylmorpholin-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 42895596
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26900131

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 46684440) is 2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is Cc1cccc(OCC(=O)NCC2CN(CC(C)C)CCO2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is JHTHFYQYYHRJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(2)11-20-7-8-22-17(12-20)10-19-18(21)13-23-16-6-4-5-15(3)9-16/h4-6,9,14,17H,7-8,10-13H2,1-3H3,(H,19,21).
What are the key properties of 2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 320.43 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 46684440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).