2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate

C16H20N2O2 — CID 154093293

IUPAC2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate
SMILESCN(C)CCOC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H20N2O2/c1-17(2)11-12-20-16(19)13-14-5-7-15(8-6-14)18-9-3-4-10-18/h3-10H,11-13H2,1-2H3
InChIKeyKSFCSWBXBBTOQK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.12
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate

2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate (PubChem CID 154093293) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate
PubChem CID154093293
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate
SMILESCN(C)CCOC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H20N2O2/c1-17(2)11-12-20-16(19)13-14-5-7-15(8-6-14)18-9-3-4-10-18/h3-10H,11-13H2,1-2H3
InChIKeyKSFCSWBXBBTOQK-UHFFFAOYSA-N
XLogP2.12
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
2-ethylsulfanylethyl 2-(4-pyrrol-1-ylphenyl)acetate
CID 86884791
2-(4-pyrrol-1-ylphenyl)acetamide
CID 47168980
N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47172440
2H-benzotriazol-5-ylmethyl 2-(4-pyrrol-1-ylphenyl)acetate
CID 86964599
2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate
CID 158542822
N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46407692
2-hydroxyethyl 2-[4-(dimethylamino)phenyl]acetate
CID 139785604
2-[2-[2-(dimethylamino)acetyl]oxyethyldisulfanyl]ethyl 2-(4-hydroxyphenyl)acetate
CID 176801854
[1-(2-fluorobenzoyl)piperidin-4-yl] 2-(4-pyrrol-1-ylphenyl)acetate
CID 86939213
ethyl (2S)-2-amino-3-(4-pyrrol-1-ylphenyl)propanoate
CID 91576121
ethyl 2-amino-3-(4-pyrrol-1-ylphenyl)propanoate
CID 170884995

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate (CID 154093293) is 2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate is CN(C)CCOC(=O)Cc1ccc(-n2cccc2)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate?
The InChIKey is KSFCSWBXBBTOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17(2)11-12-20-16(19)13-14-5-7-15(8-6-14)18-9-3-4-10-18/h3-10H,11-13H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate?
2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate has a molecular weight of 272.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate is sourced from PubChem (CID 154093293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).