N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide

C22H24N2O3 — CID 31443168

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C22H24N2O3/c1-4-23(16-17-7-12-20(26-2)21(15-17)27-3)22(25)18-8-10-19(11-9-18)24-13-5-6-14-24/h5-15H,4,16H2,1-3H3
InChIKeyWWDKFKBPOCGJLY-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.16
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide (PubChem CID 31443168) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
PubChem CID31443168
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C22H24N2O3/c1-4-23(16-17-7-12-20(26-2)21(15-17)27-3)22(25)18-8-10-19(11-9-18)24-13-5-6-14-24/h5-15H,4,16H2,1-3H3
InChIKeyWWDKFKBPOCGJLY-UHFFFAOYSA-N
XLogP4.16
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(methylsulfonylmethyl)benzamide
CID 28546925
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
CID 78808460
N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
CID 8820023
2-(3,4-dimethoxyphenyl)-N-[(4-pyrrol-1-ylphenyl)methyl]acetamide
CID 5300696
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-nitrobenzamide
CID 28546320
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34468319
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24548544
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide (CID 31443168) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide?
The InChIKey is WWDKFKBPOCGJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-23(16-17-7-12-20(26-2)21(15-17)27-3)22(25)18-8-10-19(11-9-18)24-13-5-6-14-24/h5-15H,4,16H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 31443168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).