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

C28H34N2O — CID 3851003

IUPAC2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide
SMILESCc1cccc(Cn2c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc(C(N)=O)c2C)c1
InChIInChI=1S/C28H34N2O/c1-18-8-7-9-20(14-18)17-30-19(2)22(26(29)31)16-25(30)21-10-11-23-24(15-21)28(5,6)13-12-27(23,3)4/h7-11,14-16H,12-13,17H2,1-6H3,(H2,29,31)
InChIKeyOBAJKPFWCLENKB-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.27
Rot. Bonds4

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

2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide (PubChem CID 3851003) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide
PubChem CID3851003
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC Name2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide
SMILESCc1cccc(Cn2c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc(C(N)=O)c2C)c1
InChIInChI=1S/C28H34N2O/c1-18-8-7-9-20(14-18)17-30-19(2)22(26(29)31)16-25(30)21-10-11-23-24(15-21)28(5,6)13-12-27(23,3)4/h7-11,14-16H,12-13,17H2,1-6H3,(H2,29,31)
InChIKeyOBAJKPFWCLENKB-UHFFFAOYSA-N
XLogP6.27
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide
CID 3852511
2-methyl-1-[(3-methylphenyl)methyl]-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168466
1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168469
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
ethyl 4-[4-carbamoyl-5-methyl-1-[(3-methylphenyl)methyl]pyrrol-2-yl]-1,3-thiazole-2-carboxylate
CID 3274931
2-methyl-5-(4-methylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3863074
5-(3-cyanophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3828786
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3799937
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
1-butyl-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide
CID 3814014
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide (CID 3851003) is 2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide is Cc1cccc(Cn2c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cc(C(N)=O)c2C)c1.
What is the InChIKey of 2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide?
The InChIKey is OBAJKPFWCLENKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-18-8-7-9-20(14-18)17-30-19(2)22(26(29)31)16-25(30)21-10-11-23-24(15-21)28(5,6)13-12-27(23,3)4/h7-11,14-16H,12-13,17H2,1-6H3,(H2,29,31).
What are the key properties of 2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide?
2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methylphenyl)methyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 3851003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).