2-(3-methoxyphenoxy)-N-pentylacetamide

C14H21NO3 — CID 19204008

IUPAC2-(3-methoxyphenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-4-5-9-15-14(16)11-18-13-8-6-7-12(10-13)17-2/h6-8,10H,3-5,9,11H2,1-2H3,(H,15,16)
InChIKeyJTCLLTLXPIAVLG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds8

About 2-(3-methoxyphenoxy)-N-pentylacetamide

2-(3-methoxyphenoxy)-N-pentylacetamide (PubChem CID 19204008) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-pentylacetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-pentylacetamide
PubChem CID19204008
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(3-methoxyphenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-3-4-5-9-15-14(16)11-18-13-8-6-7-12(10-13)17-2/h6-8,10H,3-5,9,11H2,1-2H3,(H,15,16)
InChIKeyJTCLLTLXPIAVLG-UHFFFAOYSA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.38
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

2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
CID 112978560
4-(3-methoxyphenoxy)-N-pentylbutanamide
CID 110486945
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
N-ethyl-2-(3-pentoxyphenoxy)acetamide
CID 4733263
ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 47437768

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-pentylacetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-pentylacetamide (CID 19204008) is 2-(3-methoxyphenoxy)-N-pentylacetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-pentylacetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-pentylacetamide is CCCCCNC(=O)COc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-pentylacetamide?
The InChIKey is JTCLLTLXPIAVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-4-5-9-15-14(16)11-18-13-8-6-7-12(10-13)17-2/h6-8,10H,3-5,9,11H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-methoxyphenoxy)-N-pentylacetamide?
2-(3-methoxyphenoxy)-N-pentylacetamide has a molecular weight of 251.33 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-pentylacetamide is sourced from PubChem (CID 19204008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).