2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide

C15H22ClNO3 — CID 107202418

IUPAC2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)CCCCCO)ccc1Cl
InChIInChI=1S/C15H22ClNO3/c1-12-10-13(6-7-14(12)16)20-11-15(19)17(2)8-4-3-5-9-18/h6-7,10,18H,3-5,8-9,11H2,1-2H3
InChIKeyNEDVYGALZMZEBX-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.65
Rot. Bonds8

About 2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide

2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide (PubChem CID 107202418) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
PubChem CID107202418
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)CCCCCO)ccc1Cl
InChIInChI=1S/C15H22ClNO3/c1-12-10-13(6-7-14(12)16)20-11-15(19)17(2)8-4-3-5-9-18/h6-7,10,18H,3-5,8-9,11H2,1-2H3
InChIKeyNEDVYGALZMZEBX-UHFFFAOYSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]butanoate
CID 60714425
methyl 3-[[2-(4-chloro-3-methylphenoxy)acetyl]-methylamino]propanoate
CID 61032339
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039684
2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202077
2-(4-chloro-3-methylphenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512799
3-[4-(4-chloro-3-methylphenoxy)butanoyl-methylamino]propanoic acid
CID 119362528
[2-(dimethylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404344
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
2-(4-chloro-3-methylphenoxy)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]acetamide
CID 55713003
2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856949

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide (CID 107202418) is 2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide is Cc1cc(OCC(=O)N(C)CCCCCO)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide?
The InChIKey is NEDVYGALZMZEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-12-10-13(6-7-14(12)16)20-11-15(19)17(2)8-4-3-5-9-18/h6-7,10,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide?
2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide has a molecular weight of 299.80 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide is sourced from PubChem (CID 107202418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).