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N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide

C26H30N2O4 — CID 12004866

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2cccc2C(=O)c2ccccc2C)cc1OCC
InChIInChI=1S/C26H30N2O4/c1-4-31-23-13-12-20(17-24(23)32-5-2)14-15-27-25(29)18-28-16-8-11-22(28)26(30)21-10-7-6-9-19(21)3/h6-13,16-17H,4-5,14-15,18H2,1-3H3,(H,27,29)
InChIKeyWUFDCQIQVFKDCI-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.18
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide (PubChem CID 12004866) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide
PubChem CID12004866
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2cccc2C(=O)c2ccccc2C)cc1OCC
InChIInChI=1S/C26H30N2O4/c1-4-31-23-13-12-20(17-24(23)32-5-2)14-15-27-25(29)18-28-16-8-11-22(28)26(30)21-10-7-6-9-19(21)3/h6-13,16-17H,4-5,14-15,18H2,1-3H3,(H,27,29)
InChIKeyWUFDCQIQVFKDCI-UHFFFAOYSA-N
XLogP4.18
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide (CID 12004866) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide is CCOc1ccc(CCNC(=O)Cn2cccc2C(=O)c2ccccc2C)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
The InChIKey is WUFDCQIQVFKDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-4-31-23-13-12-20(17-24(23)32-5-2)14-15-27-25(29)18-28-16-8-11-22(28)26(30)21-10-7-6-9-19(21)3/h6-13,16-17H,4-5,14-15,18H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-methylbenzoyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 12004866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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