N-butyl-2-(3-ethoxyphenoxy)acetamide

C14H21NO3 — CID 112977682

IUPACN-butyl-2-(3-ethoxyphenoxy)acetamide
SMILESCCCCNC(=O)COc1cccc(OCC)c1
InChIInChI=1S/C14H21NO3/c1-3-5-9-15-14(16)11-18-13-8-6-7-12(10-13)17-4-2/h6-8,10H,3-5,9,11H2,1-2H3,(H,15,16)
InChIKeyAAADNUBPRPNKSU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds8

About N-butyl-2-(3-ethoxyphenoxy)acetamide

N-butyl-2-(3-ethoxyphenoxy)acetamide (PubChem CID 112977682) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-butyl-2-(3-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-ethoxyphenoxy)acetamide
PubChem CID112977682
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-butyl-2-(3-ethoxyphenoxy)acetamide
SMILESCCCCNC(=O)COc1cccc(OCC)c1
InChIInChI=1S/C14H21NO3/c1-3-5-9-15-14(16)11-18-13-8-6-7-12(10-13)17-4-2/h6-8,10H,3-5,9,11H2,1-2H3,(H,15,16)
InChIKeyAAADNUBPRPNKSU-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

N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
N-ethyl-2-(3-pentoxyphenoxy)acetamide
CID 4733263
N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61485837
N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide
CID 4733113
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-ethoxyphenoxy)acetamide?
The IUPAC name of N-butyl-2-(3-ethoxyphenoxy)acetamide (CID 112977682) is N-butyl-2-(3-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-butyl-2-(3-ethoxyphenoxy)acetamide?
The canonical SMILES for N-butyl-2-(3-ethoxyphenoxy)acetamide is CCCCNC(=O)COc1cccc(OCC)c1.
What is the InChIKey of N-butyl-2-(3-ethoxyphenoxy)acetamide?
The InChIKey is AAADNUBPRPNKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-5-9-15-14(16)11-18-13-8-6-7-12(10-13)17-4-2/h6-8,10H,3-5,9,11H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-2-(3-ethoxyphenoxy)acetamide?
N-butyl-2-(3-ethoxyphenoxy)acetamide 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 N-butyl-2-(3-ethoxyphenoxy)acetamide is sourced from PubChem (CID 112977682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).