N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide

C26H36N2O2 — CID 70948738

IUPACN-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCCc1ccc(OC)cc1-c1cc(C(=O)NC2CCC2)c(C)n1CC1CCCCC1
InChIInChI=1S/C26H36N2O2/c1-4-20-13-14-22(30-3)15-24(20)25-16-23(26(29)27-21-11-8-12-21)18(2)28(25)17-19-9-6-5-7-10-19/h13-16,19,21H,4-12,17H2,1-3H3,(H,27,29)
InChIKeyLMKWTTFKINRAIP-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.90
Rot. Bonds7

About N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide

N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 70948738) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide
PubChem CID70948738
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCCc1ccc(OC)cc1-c1cc(C(=O)NC2CCC2)c(C)n1CC1CCCCC1
InChIInChI=1S/C26H36N2O2/c1-4-20-13-14-22(30-3)15-24(20)25-16-23(26(29)27-21-11-8-12-21)18(2)28(25)17-19-9-6-5-7-10-19/h13-16,19,21H,4-12,17H2,1-3H3,(H,27,29)
InChIKeyLMKWTTFKINRAIP-UHFFFAOYSA-N
XLogP5.90
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
CID 70948774
N-cyclohexyl-1-(cyclohexylmethyl)-5-(5-fluoro-2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 58999057
N-[1-[1-(cyclohexylmethyl)-5-(4-methoxy-2-methylphenyl)-2-methylpyrrol-3-yl]ethenyl]cyclohexanamine
CID 89127612
5-(4-chloro-2-fluoro-5-methylphenyl)-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998986
N-cyclohexyl-1-(cyclopropylmethyl)-5-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide
CID 58998959
5-[3-bromo-4-(dimethylamino)phenyl]-N-cyclohexyl-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 58998991
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrole-3-carboxamide
CID 58999142
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7356100
N-butyl-1-(cyclohexylmethyl)-5-[4-(2,2-difluoroethoxy)phenyl]-2-methylpyrrole-3-carboxamide
CID 153011506
3-[[5-[2-chloro-3-methyl-4-(2-methylbutan-2-ylsulfamoyl)phenyl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 71581689
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide (CID 70948738) is N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide is CCc1ccc(OC)cc1-c1cc(C(=O)NC2CCC2)c(C)n1CC1CCCCC1.
What is the InChIKey of N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is LMKWTTFKINRAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-4-20-13-14-22(30-3)15-24(20)25-16-23(26(29)27-21-11-8-12-21)18(2)28(25)17-19-9-6-5-7-10-19/h13-16,19,21H,4-12,17H2,1-3H3,(H,27,29).
What are the key properties of N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 408.59 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 70948738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).