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

C19H23NO3 — CID 23732384

IUPAC2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCC(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)12-20-19(21)13-22-16-8-10-18(11-9-16)23-17-6-4-15(3)5-7-17/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyIDRYIQRSMZXPBT-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.94
Rot. Bonds7

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

2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 23732384) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
PubChem CID23732384
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCC(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)12-20-19(21)13-22-16-8-10-18(11-9-16)23-17-6-4-15(3)5-7-17/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyIDRYIQRSMZXPBT-UHFFFAOYSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]propanehydrazide
CID 24633512
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 113323047
N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide
CID 46433016
3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
CID 103152460
2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726206

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide (CID 23732384) is 2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide is Cc1ccc(Oc2ccc(OCC(=O)NCC(C)C)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is IDRYIQRSMZXPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(2)12-20-19(21)13-22-16-8-10-18(11-9-16)23-17-6-4-15(3)5-7-17/h4-11,14H,12-13H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide?
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 23732384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).