N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide

C15H18N2O2 — CID 110690825

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cc2ccc[nH]2)cc1
InChIInChI=1S/C15H18N2O2/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)11-13-3-2-9-16-13/h2-7,9,16H,8,10-11H2,1H3,(H,17,18)
InChIKeyJZUCWMSTXDWCOP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.92
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 110690825) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide
PubChem CID110690825
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide
SMILESCOc1ccc(CCNC(=O)Cc2ccc[nH]2)cc1
InChIInChI=1S/C15H18N2O2/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)11-13-3-2-9-16-13/h2-7,9,16H,8,10-11H2,1H3,(H,17,18)
InChIKeyJZUCWMSTXDWCOP-UHFFFAOYSA-N
XLogP1.92
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690812
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2346594
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,5-trimethoxyphenyl)acetamide
CID 134090189
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide (CID 110690825) is N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide is COc1ccc(CCNC(=O)Cc2ccc[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is JZUCWMSTXDWCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)11-13-3-2-9-16-13/h2-7,9,16H,8,10-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 110690825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).