N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide

C16H20N2O2 — CID 3066805

IUPACN-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nn2c(C)ccc2C)c1
InChIInChI=1S/C16H20N2O2/c1-11-6-5-7-15(10-11)20-14(4)16(19)17-18-12(2)8-9-13(18)3/h5-10,14H,1-4H3,(H,17,19)
InChIKeyUKWXZGRATDSYMI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.95
Rot. Bonds4

About N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide

N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide (PubChem CID 3066805) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide
PubChem CID3066805
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nn2c(C)ccc2C)c1
InChIInChI=1S/C16H20N2O2/c1-11-6-5-7-15(10-11)20-14(4)16(19)17-18-12(2)8-9-13(18)3/h5-10,14H,1-4H3,(H,17,19)
InChIKeyUKWXZGRATDSYMI-UHFFFAOYSA-N
XLogP2.95
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide (CID 3066805) is N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nn2c(C)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide?
The InChIKey is UKWXZGRATDSYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-6-5-7-15(10-11)20-14(4)16(19)17-18-12(2)8-9-13(18)3/h5-10,14H,1-4H3,(H,17,19).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide?
N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 3066805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).