N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide

C23H30ClNO4 — CID 4733029

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
SMILESCCCCCCCCOc1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C23H30ClNO4/c1-3-4-5-6-7-8-15-28-19-10-12-20(13-11-19)29-17-23(26)25-21-16-18(24)9-14-22(21)27-2/h9-14,16H,3-8,15,17H2,1-2H3,(H,25,26)
InChIKeyPAPORYSZKDXPNL-UHFFFAOYSA-N
MW419.95 g/mol
LogP6.11
Rot. Bonds13

About N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide (PubChem CID 4733029) has the molecular formula C23H30ClNO4 and a molecular weight of 419.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
PubChem CID4733029
Molecular FormulaC23H30ClNO4
Molecular Weight419.95 g/mol
Exact Mass419.19
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
SMILESCCCCCCCCOc1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C23H30ClNO4/c1-3-4-5-6-7-8-15-28-19-10-12-20(13-11-19)29-17-23(26)25-21-16-18(24)9-14-22(21)27-2/h9-14,16H,3-8,15,17H2,1-2H3,(H,25,26)
InChIKeyPAPORYSZKDXPNL-UHFFFAOYSA-N
XLogP6.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.95
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733017
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
nonyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722643
pentyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722639
N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19184672
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296
1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea
CID 4055904
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31091838
N-(2-methoxyphenyl)-2-(3-pentoxyphenoxy)acetamide
CID 4733241
3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide
CID 18848495

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide (CID 4733029) is N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide is CCCCCCCCOc1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide?
The InChIKey is PAPORYSZKDXPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClNO4/c1-3-4-5-6-7-8-15-28-19-10-12-20(13-11-19)29-17-23(26)25-21-16-18(24)9-14-22(21)27-2/h9-14,16H,3-8,15,17H2,1-2H3,(H,25,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide has a molecular weight of 419.95 g/mol, XLogP of 6.11, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide is sourced from PubChem (CID 4733029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).