N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide

C37H57N3O5 — CID 46886424

IUPACN-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide
SMILESCOc1ccc(CCN(C)CCCC(CNC(=O)C2=CC(C)(C)N(C)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
InChIInChI=1S/C37H57N3O5/c1-26(2)37(28-15-17-31(43-10)33(23-28)45-12,25-38-34(41)29-24-35(3,4)40(8)36(29,5)6)19-13-20-39(7)21-18-27-14-16-30(42-9)32(22-27)44-11/h14-17,22-24,26H,13,18-21,25H2,1-12H3,(H,38,41)
InChIKeyFLZIGWGEPLAQCW-UHFFFAOYSA-N
MW623.88 g/mol
LogP6.11
Rot. Bonds16

About N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide (PubChem CID 46886424) has the molecular formula C37H57N3O5 and a molecular weight of 623.88 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide
PubChem CID46886424
Molecular FormulaC37H57N3O5
Molecular Weight623.88 g/mol
Exact Mass623.43
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide
SMILESCOc1ccc(CCN(C)CCCC(CNC(=O)C2=CC(C)(C)N(C)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
InChIInChI=1S/C37H57N3O5/c1-26(2)37(28-15-17-31(43-10)33(23-28)45-12,25-38-34(41)29-24-35(3,4)40(8)36(29,5)6)19-13-20-39(7)21-18-27-14-16-30(42-9)32(22-27)44-11/h14-17,22-24,26H,13,18-21,25H2,1-12H3,(H,38,41)
InChIKeyFLZIGWGEPLAQCW-UHFFFAOYSA-N
XLogP6.11
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.88
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide (CID 46886424) is N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide is COc1ccc(CCN(C)CCCC(CNC(=O)C2=CC(C)(C)N(C)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide?
The InChIKey is FLZIGWGEPLAQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H57N3O5/c1-26(2)37(28-15-17-31(43-10)33(23-28)45-12,25-38-34(41)29-24-35(3,4)40(8)36(29,5)6)19-13-20-39(7)21-18-27-14-16-30(42-9)32(22-27)44-11/h14-17,22-24,26H,13,18-21,25H2,1-12H3,(H,38,41).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide has a molecular weight of 623.88 g/mol, XLogP of 6.11, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentyl]-1,2,2,5,5-pentamethylpyrrole-3-carboxamide is sourced from PubChem (CID 46886424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).