2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide

C15H18N2O2 — CID 106385571

IUPAC2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESCCc1cccc(OCC(=O)NCc2cc[nH]c2)c1
InChIInChI=1S/C15H18N2O2/c1-2-12-4-3-5-14(8-12)19-11-15(18)17-10-13-6-7-16-9-13/h3-9,16H,2,10-11H2,1H3,(H,17,18)
InChIKeyXFYTVRBBXZADQQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.27
Rot. Bonds6

About 2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide

2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 106385571) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID106385571
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESCCc1cccc(OCC(=O)NCc2cc[nH]c2)c1
InChIInChI=1S/C15H18N2O2/c1-2-12-4-3-5-14(8-12)19-11-15(18)17-10-13-6-7-16-9-13/h3-9,16H,2,10-11H2,1H3,(H,17,18)
InChIKeyXFYTVRBBXZADQQ-UHFFFAOYSA-N
XLogP2.27
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 33203040
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384989
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427019
1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408093

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 106385571) is 2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide is CCc1cccc(OCC(=O)NCc2cc[nH]c2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is XFYTVRBBXZADQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-12-4-3-5-14(8-12)19-11-15(18)17-10-13-6-7-16-9-13/h3-9,16H,2,10-11H2,1H3,(H,17,18).
What are the key properties of 2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide?
2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 106385571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).