4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

C26H48N2O2 — CID 177194389

IUPAC4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCCC(C)(C)CC(C)(C)C(=O)C1CCC(CNC(=O)C2CCC(CNC)CC2)CC1
InChIInChI=1S/C26H48N2O2/c1-7-25(2,3)18-26(4,5)23(29)21-12-8-20(9-13-21)17-28-24(30)22-14-10-19(11-15-22)16-27-6/h19-22,27H,7-18H2,1-6H3,(H,28,30)
InChIKeyWZHOSFQQWZHEJQ-UHFFFAOYSA-N
MW420.68 g/mol
LogP5.36
Rot. Bonds10

About 4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 177194389) has the molecular formula C26H48N2O2 and a molecular weight of 420.68 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
PubChem CID177194389
Molecular FormulaC26H48N2O2
Molecular Weight420.68 g/mol
Exact Mass420.37
IUPAC Name4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCCC(C)(C)CC(C)(C)C(=O)C1CCC(CNC(=O)C2CCC(CNC)CC2)CC1
InChIInChI=1S/C26H48N2O2/c1-7-25(2,3)18-26(4,5)23(29)21-12-8-20(9-13-21)17-28-24(30)22-14-10-19(11-15-22)16-27-6/h19-22,27H,7-18H2,1-6H3,(H,28,30)
InChIKeyWZHOSFQQWZHEJQ-UHFFFAOYSA-N
XLogP5.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.68
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508
4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 176781646
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167930823
ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate
CID 20757661
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide
CID 166321617
N-[3-(ethylamino)-2,2-dimethyl-3-oxopropyl]cyclopropanecarboxamide
CID 71845564
N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 106121672

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 177194389) is 4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is CCC(C)(C)CC(C)(C)C(=O)C1CCC(CNC(=O)C2CCC(CNC)CC2)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is WZHOSFQQWZHEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O2/c1-7-25(2,3)18-26(4,5)23(29)21-12-8-20(9-13-21)17-28-24(30)22-14-10-19(11-15-22)16-27-6/h19-22,27H,7-18H2,1-6H3,(H,28,30).
What are the key properties of 4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 420.68 g/mol, XLogP of 5.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 177194389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).