2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide

C22H44N2O2 — CID 167269909

IUPAC2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide
SMILESCNCC1(C)CC(NC(=O)C(C)(C)OCCCCC(C)C)CC(C)(C)C1
InChIInChI=1S/C22H44N2O2/c1-17(2)11-9-10-12-26-21(5,6)19(25)24-18-13-20(3,4)15-22(7,14-18)16-23-8/h17-18,23H,9-16H2,1-8H3,(H,24,25)
InChIKeyRCCMUHMVXDMSKH-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.53
Rot. Bonds10

About 2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide

2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide (PubChem CID 167269909) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is 2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide
PubChem CID167269909
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC Name2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide
SMILESCNCC1(C)CC(NC(=O)C(C)(C)OCCCCC(C)C)CC(C)(C)C1
InChIInChI=1S/C22H44N2O2/c1-17(2)11-9-10-12-26-21(5,6)19(25)24-18-13-20(3,4)15-22(7,14-18)16-23-8/h17-18,23H,9-16H2,1-8H3,(H,24,25)
InChIKeyRCCMUHMVXDMSKH-UHFFFAOYSA-N
XLogP4.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 177065445
2,2,2-trichloro-N-[[1,3,3-trimethyl-5-[(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]acetamide
CID 3710532
2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide
CID 1014515
2-[[3-methyl-3-[[[2-methyl-2-[4-[1-oxo-1-[[1,3,3-trimethyl-5-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]methylamino]propan-2-yl]oxybutoxy]propanoyl]amino]methyl]cyclohexyl]carbamoyloxy]ethyl prop-2-enoate
CID 166892199
[4-[1-oxo-1-[[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]amino]propan-2-yl]oxyphenyl] 2-methyl-2-(2-methylprop-2-enoyloxy)propanoate
CID 70167777
2,2,3,3,4,4,4-heptafluoro-N-[[1,3,3-trimethyl-5-(2,2,3,3,3-pentafluoropropanoylamino)cyclohexyl]methyl]butanamide
CID 3101998
6-[[5-(5,5-dimethylhexoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methylcarbamoyloxy]hexyl 4,4-dimethylpentyl carbonate
CID 176797629
2-methoxyethyl N-[[5-(butan-2-yloxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 130346361
[3-[(dodecoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamic acid
CID 154014296
2-hydroxyethyl N-[3-[(2-hydroxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 122370708
propyl N-[[1,3,3-trimethyl-5-(2-octyldodecoxycarbonylamino)cyclohexyl]methyl]carbamate
CID 59172081
2-[3-[3-[tert-butyl-[3-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]-2,3-dimethylbutan-2-yl]oxy-methylsilyl]propoxy]-3-methylbutoxy]-N-[3-[[(4-hydroxy-6-methyl-1,4-dihydropyrimidin-2-yl)carbamoylamino]methyl]-3,5,5-trimethylcyclohexyl]-2-methylpropanamide
CID 142906427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide?
The IUPAC name of 2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide (CID 167269909) is 2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide.
What is the SMILES notation for 2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide?
The canonical SMILES for 2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide is CNCC1(C)CC(NC(=O)C(C)(C)OCCCCC(C)C)CC(C)(C)C1.
What is the InChIKey of 2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide?
The InChIKey is RCCMUHMVXDMSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-17(2)11-9-10-12-26-21(5,6)19(25)24-18-13-20(3,4)15-22(7,14-18)16-23-8/h17-18,23H,9-16H2,1-8H3,(H,24,25).
What are the key properties of 2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide?
2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide has a molecular weight of 368.61 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methylhexoxy)-N-[3,3,5-trimethyl-5-(methylaminomethyl)cyclohexyl]propanamide is sourced from PubChem (CID 167269909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).