4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

C24H46N2O — CID 176781646

IUPAC4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)CC1CCC(CNC(=O)C2CCC(CNC(C)(C)C)CC2)CC1
InChIInChI=1S/C24H46N2O/c1-23(2,3)15-18-7-9-19(10-8-18)16-25-22(27)21-13-11-20(12-14-21)17-26-24(4,5)6/h18-21,26H,7-17H2,1-6H3,(H,25,27)
InChIKeyPLHYTLOKKAVTMA-UHFFFAOYSA-N
MW378.65 g/mol
LogP5.54
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 176781646) has the molecular formula C24H46N2O and a molecular weight of 378.65 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
PubChem CID176781646
Molecular FormulaC24H46N2O
Molecular Weight378.65 g/mol
Exact Mass378.36
IUPAC Name4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCC(C)(C)CC1CCC(CNC(=O)C2CCC(CNC(C)(C)C)CC2)CC1
InChIInChI=1S/C24H46N2O/c1-23(2,3)15-18-7-9-19(10-8-18)16-25-22(27)21-13-11-20(12-14-21)17-26-24(4,5)6/h18-21,26H,7-17H2,1-6H3,(H,25,27)
InChIKeyPLHYTLOKKAVTMA-UHFFFAOYSA-N
XLogP5.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.65
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673
[4-[(tert-butylamino)methyl]piperidin-1-yl]-cyclopropylmethanone
CID 134166280
4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 106121672
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167930823
4-(methylaminomethyl)-N-[[4-(2,2,4,4-tetramethylhexanoyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 177194389
N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 176781646) is 4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is CC(C)(C)CC1CCC(CNC(=O)C2CCC(CNC(C)(C)C)CC2)CC1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is PLHYTLOKKAVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O/c1-23(2,3)15-18-7-9-19(10-8-18)16-25-22(27)21-13-11-20(12-14-21)17-26-24(4,5)6/h18-21,26H,7-17H2,1-6H3,(H,25,27).
What are the key properties of 4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 378.65 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 176781646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).