N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide

C15H18N2O — CID 45153639

IUPACN-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N2O/c1-3-15(18)16-12(2)13-6-8-14(9-7-13)17-10-4-5-11-17/h4-12H,3H2,1-2H3,(H,16,18)
InChIKeyOQXMDKWMDINPKM-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide

N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide (PubChem CID 45153639) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
PubChem CID45153639
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N2O/c1-3-15(18)16-12(2)13-6-8-14(9-7-13)17-10-4-5-11-17/h4-12H,3H2,1-2H3,(H,16,18)
InChIKeyOQXMDKWMDINPKM-UHFFFAOYSA-N
XLogP3.06
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502242
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
2-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19485587
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19521089
4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19263417
1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19474638
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19550307
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725306
2-phenyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 56725051
2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725038

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide (CID 45153639) is N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide is CCC(=O)NC(C)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide?
The InChIKey is OQXMDKWMDINPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-15(18)16-12(2)13-6-8-14(9-7-13)17-10-4-5-11-17/h4-12H,3H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide?
N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide has a molecular weight of 242.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 45153639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).