2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide

C15H18N2O2 — CID 110789370

IUPAC2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2cc[nH]c2)cc1
InChIInChI=1S/C15H18N2O2/c1-12-2-4-14(5-3-12)19-11-15(18)17-9-7-13-6-8-16-10-13/h2-6,8,10,16H,7,9,11H2,1H3,(H,17,18)
InChIKeyVUSCRAAVLXMRCJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.06
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide

2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide (PubChem CID 110789370) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
PubChem CID110789370
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2cc[nH]c2)cc1
InChIInChI=1S/C15H18N2O2/c1-12-2-4-14(5-3-12)19-11-15(18)17-9-7-13-6-8-16-10-13/h2-6,8,10,16H,7,9,11H2,1H3,(H,17,18)
InChIKeyVUSCRAAVLXMRCJ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 47045575
N-[2-(1H-indol-6-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 84582546
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384989
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 115158043
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24632921
2-(methylamino)-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]acetamide
CID 119751105
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 112507216

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide (CID 110789370) is 2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide is Cc1ccc(OCC(=O)NCCc2cc[nH]c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
The InChIKey is VUSCRAAVLXMRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12-2-4-14(5-3-12)19-11-15(18)17-9-7-13-6-8-16-10-13/h2-6,8,10,16H,7,9,11H2,1H3,(H,17,18).
What are the key properties of 2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide?
2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide is sourced from PubChem (CID 110789370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).