3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide

C16H20N2O2 — CID 68636010

IUPAC3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide
SMILESCOc1ccc(-c2cc(CCC(=O)N(C)C)c[nH]2)cc1
InChIInChI=1S/C16H20N2O2/c1-18(2)16(19)9-4-12-10-15(17-11-12)13-5-7-14(20-3)8-6-13/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyYCWWXZMSEKGFOI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.71
Rot. Bonds5

About 3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide

3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide (PubChem CID 68636010) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide
PubChem CID68636010
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide
SMILESCOc1ccc(-c2cc(CCC(=O)N(C)C)c[nH]2)cc1
InChIInChI=1S/C16H20N2O2/c1-18(2)16(19)9-4-12-10-15(17-11-12)13-5-7-14(20-3)8-6-13/h5-8,10-11,17H,4,9H2,1-3H3
InChIKeyYCWWXZMSEKGFOI-UHFFFAOYSA-N
XLogP2.71
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide
CID 59523670
3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide
CID 14025499
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773
3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845774
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 107735768
3-[2-(hydroxymethyl)-4-methoxyphenoxy]-N,N-dimethylpropanamide
CID 54879094
3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269047
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide
CID 87012644
3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
CID 87007745

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide (CID 68636010) is 3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide is COc1ccc(-c2cc(CCC(=O)N(C)C)c[nH]2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide?
The InChIKey is YCWWXZMSEKGFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(2)16(19)9-4-12-10-15(17-11-12)13-5-7-14(20-3)8-6-13/h5-8,10-11,17H,4,9H2,1-3H3.
What are the key properties of 3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide?
3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1H-pyrrol-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 68636010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).