3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide

C17H22N2O — CID 110789216

IUPAC3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide
SMILESCc1cccc(CCC(=O)NCCc2ccn(C)c2)c1
InChIInChI=1S/C17H22N2O/c1-14-4-3-5-15(12-14)6-7-17(20)18-10-8-16-9-11-19(2)13-16/h3-5,9,11-13H,6-8,10H2,1-2H3,(H,18,20)
InChIKeyVZORAAKUSDYLLS-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.63
Rot. Bonds6

About 3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide

3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide (PubChem CID 110789216) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide
PubChem CID110789216
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide
SMILESCc1cccc(CCC(=O)NCCc2ccn(C)c2)c1
InChIInChI=1S/C17H22N2O/c1-14-4-3-5-15(12-14)6-7-17(20)18-10-8-16-9-11-19(2)13-16/h3-5,9,11-13H,6-8,10H2,1-2H3,(H,18,20)
InChIKeyVZORAAKUSDYLLS-UHFFFAOYSA-N
XLogP2.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 79199375
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
6-[2-(3-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 62315187
3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 47327011
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
3-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110307624
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
N-(6-bromohexyl)-3-(3-methylphenyl)propanamide
CID 114008578

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide (CID 110789216) is 3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide is Cc1cccc(CCC(=O)NCCc2ccn(C)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide?
The InChIKey is VZORAAKUSDYLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14-4-3-5-15(12-14)6-7-17(20)18-10-8-16-9-11-19(2)13-16/h3-5,9,11-13H,6-8,10H2,1-2H3,(H,18,20).
What are the key properties of 3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide?
3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide has a molecular weight of 270.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide is sourced from PubChem (CID 110789216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).