N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide

C18H21NO4 — CID 78855960

IUPACN-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCC(C)O)cc2)cc1
InChIInChI=1S/C18H21NO4/c1-13-3-5-16(6-4-13)23-17-9-7-15(8-10-17)22-12-18(21)19-11-14(2)20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyYLHYKAOQWCGOPV-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.66
Rot. Bonds7

About N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide

N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide (PubChem CID 78855960) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
PubChem CID78855960
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCC(C)O)cc2)cc1
InChIInChI=1S/C18H21NO4/c1-13-3-5-16(6-4-13)23-17-9-7-15(8-10-17)22-12-18(21)19-11-14(2)20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyYLHYKAOQWCGOPV-UHFFFAOYSA-N
XLogP2.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726206
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]propanehydrazide
CID 24633512
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
CID 103152460
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate
CID 2333588
N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
CID 24633483
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide
CID 90498772

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The IUPAC name of N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide (CID 78855960) is N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide is Cc1ccc(Oc2ccc(OCC(=O)NCC(C)O)cc2)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
The InChIKey is YLHYKAOQWCGOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-3-5-16(6-4-13)23-17-9-7-15(8-10-17)22-12-18(21)19-11-14(2)20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide?
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide is sourced from PubChem (CID 78855960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).