N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide

C16H20N2O2 — CID 53147988

IUPACN-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide
SMILESCOCCNC(=O)Cc1cccn1-c1ccc(C)cc1
InChIInChI=1S/C16H20N2O2/c1-13-5-7-14(8-6-13)18-10-3-4-15(18)12-16(19)17-9-11-20-2/h3-8,10H,9,11-12H2,1-2H3,(H,17,19)
InChIKeyXFTSFHDOXQIHAP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds6

About N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide

N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide (PubChem CID 53147988) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide
PubChem CID53147988
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide
SMILESCOCCNC(=O)Cc1cccn1-c1ccc(C)cc1
InChIInChI=1S/C16H20N2O2/c1-13-5-7-14(8-6-13)18-10-3-4-15(18)12-16(19)17-9-11-20-2/h3-8,10H,9,11-12H2,1-2H3,(H,17,19)
InChIKeyXFTSFHDOXQIHAP-UHFFFAOYSA-N
XLogP2.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide (CID 53147988) is N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide is COCCNC(=O)Cc1cccn1-c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide?
The InChIKey is XFTSFHDOXQIHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13-5-7-14(8-6-13)18-10-3-4-15(18)12-16(19)17-9-11-20-2/h3-8,10H,9,11-12H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide?
N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[1-(4-methylphenyl)pyrrol-2-yl]acetamide is sourced from PubChem (CID 53147988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).