N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide

C31H34N2O4 — CID 42785523

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)c(C)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C31H34N2O4/c1-21-7-12-25(13-8-21)33-22(2)27(20-28(33)24-10-14-26(35-4)15-11-24)31(34)32(3)18-17-23-9-16-29(36-5)30(19-23)37-6/h7-16,19-20H,17-18H2,1-6H3
InChIKeyTZSDBGYZTNZBEC-UHFFFAOYSA-N
MW498.62 g/mol
LogP6.10
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide (PubChem CID 42785523) has the molecular formula C31H34N2O4 and a molecular weight of 498.62 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide
PubChem CID42785523
Molecular FormulaC31H34N2O4
Molecular Weight498.62 g/mol
Exact Mass498.25
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)c(C)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C31H34N2O4/c1-21-7-12-25(13-8-21)33-22(2)27(20-28(33)24-10-14-26(35-4)15-11-24)31(34)32(3)18-17-23-9-16-29(36-5)30(19-23)37-6/h7-16,19-20H,17-18H2,1-6H3
InChIKeyTZSDBGYZTNZBEC-UHFFFAOYSA-N
XLogP6.10
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide
CID 42725692
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660597
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
CID 26826456
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 44765235
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856358
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873234
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 42361099
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide
CID 42742294
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26826334
[4-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42792027

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide (CID 42785523) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide is COc1ccc(-c2cc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)c(C)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is TZSDBGYZTNZBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O4/c1-21-7-12-25(13-8-21)33-22(2)27(20-28(33)24-10-14-26(35-4)15-11-24)31(34)32(3)18-17-23-9-16-29(36-5)30(19-23)37-6/h7-16,19-20H,17-18H2,1-6H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 498.62 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 42785523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).