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

C26H37FN2O2 — CID 145160092

IUPACN-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide
SMILESCCNC(=O)C1=NCC(c2cc(C(C)C)c(C)cc2O)=C1C1CCC(C(C)(C)F)CC1
InChIInChI=1S/C26H37FN2O2/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/h12-13,15,17-18,30H,7-11,14H2,1-6H3,(H,28,31)
InChIKeyANSHXQYGVDXDJX-UHFFFAOYSA-N
MW428.59 g/mol
LogP5.72
Rot. Bonds6

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

N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide (PubChem CID 145160092) has the molecular formula C26H37FN2O2 and a molecular weight of 428.59 g/mol. Its IUPAC name is 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 NameN-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide
PubChem CID145160092
Molecular FormulaC26H37FN2O2
Molecular Weight428.59 g/mol
Exact Mass428.28
IUPAC NameN-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide
SMILESCCNC(=O)C1=NCC(c2cc(C(C)C)c(C)cc2O)=C1C1CCC(C(C)(C)F)CC1
InChIInChI=1S/C26H37FN2O2/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/h12-13,15,17-18,30H,7-11,14H2,1-6H3,(H,28,31)
InChIKeyANSHXQYGVDXDJX-UHFFFAOYSA-N
XLogP5.72
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.59
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
2-[1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117373942
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-1,2-oxazole-3,4-dicarboxamide
CID 136970109
4-acetamido-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1,2-oxazole-3-carboxamide
CID 135895337
4-[2-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(ethylcarbamoyl)-1-aza-3-azoniacyclobuta-2,3-dien-1-yl]benzoic acid
CID 123818396
4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
CID 54864939
N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 134166507
4-hydroxy-2-methyl-5-propan-2-ylbenzohydrazide
CID 83386284
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 22176930
ethyl 2-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 117378873
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735

Frequently Asked Questions

What is the IUPAC name of 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 N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide (CID 145160092) is 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 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 N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide is CCNC(=O)C1=NCC(c2cc(C(C)C)c(C)cc2O)=C1C1CCC(C(C)(C)F)CC1.
What is the InChIKey of 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 ANSHXQYGVDXDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN2O2/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/h12-13,15,17-18,30H,7-11,14H2,1-6H3,(H,28,31).
What are the key properties of N-ethyl-4-[4-(2-fluoropropan-2-yl)cyclohexyl]-3-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)-2H-pyrrole-5-carboxamide?
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 428.59 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 145160092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).