3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide

C16H20N2O — CID 46261847

IUPAC3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCn2cccc2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-12-10-13(2)16(14(3)11-12)17-15(19)6-9-18-7-4-5-8-18/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,17,19)
InChIKeyMZJCTUISDLRCNO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.44
Rot. Bonds4

About 3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide

3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 46261847) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID46261847
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCn2cccc2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-12-10-13(2)16(14(3)11-12)17-15(19)6-9-18-7-4-5-8-18/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,17,19)
InChIKeyMZJCTUISDLRCNO-UHFFFAOYSA-N
XLogP3.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 110858181
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide
CID 46343165
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 84569535
3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119269153
3-(3-imidazol-1-ylpropanoylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55985388

Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide (CID 46261847) is 3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)CCn2cccc2)c(C)c1.
What is the InChIKey of 3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is MZJCTUISDLRCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-10-13(2)16(14(3)11-12)17-15(19)6-9-18-7-4-5-8-18/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,17,19).
What are the key properties of 3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide?
3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 256.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 46261847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).