2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide

C15H18N2O4 — CID 57247164

IUPAC2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cc2ccc[nH]2)c(OC)c1
InChIInChI=1S/C15H18N2O4/c1-19-11-8-12(20-2)15(13(9-11)21-3)17-14(18)7-10-5-4-6-16-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyMSDNYESCUAJBJJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.22
Rot. Bonds6

About 2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide

2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide (PubChem CID 57247164) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
PubChem CID57247164
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)Cc2ccc[nH]2)c(OC)c1
InChIInChI=1S/C15H18N2O4/c1-19-11-8-12(20-2)15(13(9-11)21-3)17-14(18)7-10-5-4-6-16-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18)
InChIKeyMSDNYESCUAJBJJ-UHFFFAOYSA-N
XLogP2.22
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690812
3-(4-fluorophenyl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 110778529
N-(2,4-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide
CID 110690882
(2,4,6-trimethoxyphenyl)carbamothioic S-acid
CID 115169717
3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
CID 21469465
2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
CID 82499633
3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 86748282
N-(2-chloro-4,6-dimethoxyphenyl)propanamide
CID 38114192
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 62328738
N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide
CID 100828478

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide (CID 57247164) is 2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide is COc1cc(OC)c(NC(=O)Cc2ccc[nH]2)c(OC)c1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
The InChIKey is MSDNYESCUAJBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-19-11-8-12(20-2)15(13(9-11)21-3)17-14(18)7-10-5-4-6-16-10/h4-6,8-9,16H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide?
2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide is sourced from PubChem (CID 57247164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).