2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide

C30H42N2O2 — CID 4831534

IUPAC2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(C2(c3ccc(NC(=O)C(C)CCC)cc3)CCCCC2)cc1
InChIInChI=1S/C30H42N2O2/c1-5-10-22(3)28(33)31-26-16-12-24(13-17-26)30(20-8-7-9-21-30)25-14-18-27(19-15-25)32-29(34)23(4)11-6-2/h12-19,22-23H,5-11,20-21H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyTUUIOECGQNJRHS-UHFFFAOYSA-N
MW462.68 g/mol
LogP7.69
Rot. Bonds10

About 2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide

2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide (PubChem CID 4831534) has the molecular formula C30H42N2O2 and a molecular weight of 462.68 g/mol. Its IUPAC name is 2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide
PubChem CID4831534
Molecular FormulaC30H42N2O2
Molecular Weight462.68 g/mol
Exact Mass462.32
IUPAC Name2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(C2(c3ccc(NC(=O)C(C)CCC)cc3)CCCCC2)cc1
InChIInChI=1S/C30H42N2O2/c1-5-10-22(3)28(33)31-26-16-12-24(13-17-26)30(20-8-7-9-21-30)25-14-18-27(19-15-25)32-29(34)23(4)11-6-2/h12-19,22-23H,5-11,20-21H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyTUUIOECGQNJRHS-UHFFFAOYSA-N
XLogP7.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide with MolForge

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
2-methyl-N-phenylpentanamide
CID 4627801
N-[4-(bromomethyl)phenyl]-2-methylpentanamide
CID 114310848
[amino-[4-(2-methylpentanoylamino)phenyl]methylidene]azanium
CID 21349582
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619
N-(4-carbamothioylphenyl)-2-methylpentanamide
CID 43210162
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
1-[4-(2-methylbutanoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557931
(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide
CID 43210178
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpentanamide
CID 134005594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide?
The IUPAC name of 2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide (CID 4831534) is 2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide?
The canonical SMILES for 2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide is CCCC(C)C(=O)Nc1ccc(C2(c3ccc(NC(=O)C(C)CCC)cc3)CCCCC2)cc1.
What is the InChIKey of 2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide?
The InChIKey is TUUIOECGQNJRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O2/c1-5-10-22(3)28(33)31-26-16-12-24(13-17-26)30(20-8-7-9-21-30)25-14-18-27(19-15-25)32-29(34)23(4)11-6-2/h12-19,22-23H,5-11,20-21H2,1-4H3,(H,31,33)(H,32,34).
What are the key properties of 2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide?
2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide has a molecular weight of 462.68 g/mol, XLogP of 7.69, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[1-[4-(2-methylpentanoylamino)phenyl]cyclohexyl]phenyl]pentanamide is sourced from PubChem (CID 4831534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).