2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide

C24H30N2O4 — CID 70943688

IUPAC2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide
SMILESCCNC(=O)C1=CCC(c2cc(C(C)C)c(O)cc2O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C24H30N2O4/c1-5-25-24(29)21-11-10-20(19-12-18(15(2)3)22(27)13-23(19)28)26(21)14-16-6-8-17(30-4)9-7-16/h6-9,11-13,15,20,27-28H,5,10,14H2,1-4H3,(H,25,29)
InChIKeyGGONQMZLSPSAMY-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.20
Rot. Bonds7

About 2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide

2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide (PubChem CID 70943688) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide
PubChem CID70943688
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide
SMILESCCNC(=O)C1=CCC(c2cc(C(C)C)c(O)cc2O)N1Cc1ccc(OC)cc1
InChIInChI=1S/C24H30N2O4/c1-5-25-24(29)21-11-10-20(19-12-18(15(2)3)22(27)13-23(19)28)26(21)14-16-6-8-17(30-4)9-7-16/h6-9,11-13,15,20,27-28H,5,10,14H2,1-4H3,(H,25,29)
InChIKeyGGONQMZLSPSAMY-UHFFFAOYSA-N
XLogP4.20
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide?
The IUPAC name of 2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide (CID 70943688) is 2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide?
The canonical SMILES for 2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide is CCNC(=O)C1=CCC(c2cc(C(C)C)c(O)cc2O)N1Cc1ccc(OC)cc1.
What is the InChIKey of 2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide?
The InChIKey is GGONQMZLSPSAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-5-25-24(29)21-11-10-20(19-12-18(15(2)3)22(27)13-23(19)28)26(21)14-16-6-8-17(30-4)9-7-16/h6-9,11-13,15,20,27-28H,5,10,14H2,1-4H3,(H,25,29).
What are the key properties of 2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide?
2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]-2,3-dihydropyrrole-5-carboxamide is sourced from PubChem (CID 70943688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).