2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide

C18H24N2O2 — CID 59225707

IUPAC2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
SMILESCC(C)(C)c1cccc(OCC(=O)NCCc2ccc[nH]2)c1
InChIInChI=1S/C18H24N2O2/c1-18(2,3)14-6-4-8-16(12-14)22-13-17(21)20-11-9-15-7-5-10-19-15/h4-8,10,12,19H,9,11,13H2,1-3H3,(H,20,21)
InChIKeyANJKLIKFTRHWRO-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.05
Rot. Bonds6

About 2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide

2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide (PubChem CID 59225707) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
PubChem CID59225707
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
SMILESCC(C)(C)c1cccc(OCC(=O)NCCc2ccc[nH]2)c1
InChIInChI=1S/C18H24N2O2/c1-18(2,3)14-6-4-8-16(12-14)22-13-17(21)20-11-9-15-7-5-10-19-15/h4-8,10,12,19H,9,11,13H2,1-3H3,(H,20,21)
InChIKeyANJKLIKFTRHWRO-UHFFFAOYSA-N
XLogP3.05
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
CID 112977536
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
3-oxo-3-[2-(1H-pyrrol-2-yl)ethylamino]propanoic acid
CID 115163534
2-(3-tert-butylphenoxy)-N-(2-ethylphenyl)acetamide
CID 112977620
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977668
2-(3-tert-butylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 42989700
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119405880
2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 112977615
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9473964
methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977644

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide (CID 59225707) is 2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide is CC(C)(C)c1cccc(OCC(=O)NCCc2ccc[nH]2)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide?
The InChIKey is ANJKLIKFTRHWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-18(2,3)14-6-4-8-16(12-14)22-13-17(21)20-11-9-15-7-5-10-19-15/h4-8,10,12,19H,9,11,13H2,1-3H3,(H,20,21).
What are the key properties of 2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide?
2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide has a molecular weight of 300.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide is sourced from PubChem (CID 59225707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).