1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide

C24H26N2O2 — CID 3607365

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1C1CCc2ccccc21
InChIInChI=1S/C24H26N2O2/c1-3-7-21-23(17-9-6-10-18(27)14-17)22(24(25)28)15(2)26(21)20-13-12-16-8-4-5-11-19(16)20/h4-6,8-11,14,20,27H,3,7,12-13H2,1-2H3,(H2,25,28)
InChIKeyCIZNXEDPZXCXCZ-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.76
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide

1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide (PubChem CID 3607365) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
PubChem CID3607365
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1C1CCc2ccccc21
InChIInChI=1S/C24H26N2O2/c1-3-7-21-23(17-9-6-10-18(27)14-17)22(24(25)28)15(2)26(21)20-13-12-16-8-4-5-11-19(16)20/h4-6,8-11,14,20,27H,3,7,12-13H2,1-2H3,(H2,25,28)
InChIKeyCIZNXEDPZXCXCZ-UHFFFAOYSA-N
XLogP4.76
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-diphenyl-N-hexylpyrrolo[3,4-c]pyrrole-1,4-dione
CID 137158258
1-[(3,4-Difluorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3466781
1-Benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3481918
2,5-Dimethyl-1-(2-phenylethyl)-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3522717
1-[2-(4-Hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3591614
5-Ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3599312
4-(3-Fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 3670618
4-(4-Fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 3670693
1-[2-(4-Hydroxyphenyl)ethyl]-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3670694
5-butyl-1-(2,3-dihydro-1H-inden-1-yl)-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3677789
4-(3-Fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3687134
5-Ethyl-4-(3-fluorophenyl)-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3687169

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide (CID 3607365) is 1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide is CCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
The InChIKey is CIZNXEDPZXCXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-7-21-23(17-9-6-10-18(27)14-17)22(24(25)28)15(2)26(21)20-13-12-16-8-4-5-11-19(16)20/h4-6,8-11,14,20,27H,3,7,12-13H2,1-2H3,(H2,25,28).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 3607365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).