N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide

C16H20N2O2 — CID 110700746

IUPACN-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2cccn2C)cc1
InChIInChI=1S/C16H20N2O2/c1-3-20-15-9-6-13(7-10-15)17-16(19)11-8-14-5-4-12-18(14)2/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,17,19)
InChIKeyXJMOJESMLKLATC-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.00
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide

N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide (PubChem CID 110700746) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
PubChem CID110700746
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2cccn2C)cc1
InChIInChI=1S/C16H20N2O2/c1-3-20-15-9-6-13(7-10-15)17-16(19)11-8-14-5-4-12-18(14)2/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,17,19)
InChIKeyXJMOJESMLKLATC-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-propan-2-ylurea
CID 42760083
N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700760
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 110700772
N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973188
N-(4-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2243182
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
N-[(4-ethoxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 697334
N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 23973496
ethyl 3-(1-methylpyrrol-2-yl)propanoate
CID 69110219
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide (CID 110700746) is N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide is CCOc1ccc(NC(=O)CCc2cccn2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide?
The InChIKey is XJMOJESMLKLATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-20-15-9-6-13(7-10-15)17-16(19)11-8-14-5-4-12-18(14)2/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide?
N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide is sourced from PubChem (CID 110700746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).