ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide

C28H42FN3O2 — CID 145160091

IUPACethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide
SMILESC=CN.CCNC(=O)C1=NCC(c2cc(C(C)C)c(C)cc2O)=C1C1CCC(C(C)(C)F)CC1
InChIInChI=1S/C26H37FN2O2.C2H5N/c1-7-28-25(31)24-23(17-8-10-18(11-9-17)26(5,6)27)21(14-29-24)20-13-19(15(2)3)16(4)12-22(20)30;1-2-3/h12-13,15,17-18,30H,7-11,14H2,1-6H3,(H,28,31);2H,1,3H2
InChIKeyVHISHCCROGCASD-UHFFFAOYSA-N
MW471.66 g/mol
LogP5.81
Rot. Bonds6

About ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide

ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide (PubChem CID 145160091) has the molecular formula C28H42FN3O2 and a molecular weight of 471.66 g/mol. Its IUPAC name is ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Nameethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide
PubChem CID145160091
Molecular FormulaC28H42FN3O2
Molecular Weight471.66 g/mol
Exact Mass471.33
IUPAC Nameethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide
SMILESC=CN.CCNC(=O)C1=NCC(c2cc(C(C)C)c(C)cc2O)=C1C1CCC(C(C)(C)F)CC1
InChIInChI=1S/C26H37FN2O2.C2H5N/c1-7-28-25(31)24-23(17-8-10-18(11-9-17)26(5,6)27)21(14-29-24)20-13-19(15(2)3)16(4)12-22(20)30;1-2-3/h12-13,15,17-18,30H,7-11,14H2,1-6H3,(H,28,31);2H,1,3H2
InChIKeyVHISHCCROGCASD-UHFFFAOYSA-N
XLogP5.81
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.66
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide?
The IUPAC name of ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide (CID 145160091) is ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide.
What is the SMILES notation for ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide?
The canonical SMILES for ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide is C=CN.CCNC(=O)C1=NCC(c2cc(C(C)C)c(C)cc2O)=C1C1CCC(C(C)(C)F)CC1.
What is the InChIKey of ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide?
The InChIKey is VHISHCCROGCASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN2O2.C2H5N/c1-7-28-25(31)24-23(17-8-10-18(11-9-17)26(5,6)27)21(14-29-24)20-13-19(15(2)3)16(4)12-22(20)30;1-2-3/h12-13,15,17-18,30H,7-11,14H2,1-6H3,(H,28,31);2H,1,3H2.
What are the key properties of ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide?
ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide has a molecular weight of 471.66 g/mol, XLogP of 5.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 145160091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).