1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide

C29H36N2O3 — CID 3852511

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide
SMILESCOc1ccc(Cn2c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc(C(N)=O)c2C)cc1OC
InChIInChI=1S/C29H36N2O3/c1-18-21(27(30)32)16-24(31(18)17-19-8-11-25(33-6)26(14-19)34-7)20-9-10-22-23(15-20)29(4,5)13-12-28(22,2)3/h8-11,14-16H,12-13,17H2,1-7H3,(H2,30,32)
InChIKeyQPOYRMGYNIPBNM-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.98
Rot. Bonds6

About 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide

1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide (PubChem CID 3852511) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide
PubChem CID3852511
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide
SMILESCOc1ccc(Cn2c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc(C(N)=O)c2C)cc1OC
InChIInChI=1S/C29H36N2O3/c1-18-21(27(30)32)16-24(31(18)17-19-8-11-25(33-6)26(14-19)34-7)20-9-10-22-23(15-20)29(4,5)13-12-28(22,2)3/h8-11,14-16H,12-13,17H2,1-7H3,(H2,30,32)
InChIKeyQPOYRMGYNIPBNM-UHFFFAOYSA-N
XLogP5.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide
CID 3851003
5-(3-cyanophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3828786
2-methyl-5-(4-methylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3863074
1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3351332
5-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3848865
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3723849
5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3821121
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 68561015
5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3825510
1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168469
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168471

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide (CID 3852511) is 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide is COc1ccc(Cn2c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc(C(N)=O)c2C)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide?
The InChIKey is QPOYRMGYNIPBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-18-21(27(30)32)16-24(31(18)17-19-8-11-25(33-6)26(14-19)34-7)20-9-10-22-23(15-20)29(4,5)13-12-28(22,2)3/h8-11,14-16H,12-13,17H2,1-7H3,(H2,30,32).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide?
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 3852511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).