3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C18H24N2O2 — CID 110688954

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCn2c(C)ccc2C)cc1
InChIInChI=1S/C18H24N2O2/c1-14-4-5-15(2)20(14)13-11-18(21)19-12-10-16-6-8-17(22-3)9-7-16/h4-9H,10-13H2,1-3H3,(H,19,21)
InChIKeyMNPBGCIWIYWUJU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.86
Rot. Bonds7

About 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 110688954) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID110688954
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCn2c(C)ccc2C)cc1
InChIInChI=1S/C18H24N2O2/c1-14-4-5-15(2)20(14)13-11-18(21)19-12-10-16-6-8-17(22-3)9-7-16/h4-9H,10-13H2,1-3H3,(H,19,21)
InChIKeyMNPBGCIWIYWUJU-UHFFFAOYSA-N
XLogP2.86
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110688951
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
N-[2-(4-methoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591044
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
CID 166676905
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025785
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 110688954) is 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCn2c(C)ccc2C)cc1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is MNPBGCIWIYWUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14-4-5-15(2)20(14)13-11-18(21)19-12-10-16-6-8-17(22-3)9-7-16/h4-9H,10-13H2,1-3H3,(H,19,21).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 300.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 110688954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).