N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide

C15H18N2O2 — CID 112522336

IUPACN-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cc2c[nH]c(C)c2)c1
InChIInChI=1S/C15H18N2O2/c1-11-6-13(10-16-11)8-15(18)17-9-12-4-3-5-14(7-12)19-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyOFRWSPNGWGIHAR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.19
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide

N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide (PubChem CID 112522336) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
PubChem CID112522336
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cc2c[nH]c(C)c2)c1
InChIInChI=1S/C15H18N2O2/c1-11-6-13(10-16-11)8-15(18)17-9-12-4-3-5-14(7-12)19-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyOFRWSPNGWGIHAR-UHFFFAOYSA-N
XLogP2.19
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[(4-fluorophenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112528395
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
N-[(3-methoxyphenyl)methyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 47127751
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide (CID 112522336) is N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide is COc1cccc(CNC(=O)Cc2c[nH]c(C)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The InChIKey is OFRWSPNGWGIHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-6-13(10-16-11)8-15(18)17-9-12-4-3-5-14(7-12)19-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 112522336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).