N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

C22H44N2O2 — CID 59992252

IUPACN-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCC(C)CN(CCNC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C)CC(C)C
InChIInChI=1S/C22H44N2O2/c1-16(2)13-24(14-17(3)4)11-10-23-22(25)15-26-21-12-19(7)8-9-20(21)18(5)6/h16-21H,8-15H2,1-7H3,(H,23,25)/t19-,20+,21-/m1/s1
InChIKeyLXNNOFRESHBDOJ-QHAWAJNXSA-N
MW368.61 g/mol
LogP4.19
Rot. Bonds11

About N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide

N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (PubChem CID 59992252) has the molecular formula C22H44N2O2 and a molecular weight of 368.61 g/mol. Its IUPAC name is N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
PubChem CID59992252
Molecular FormulaC22H44N2O2
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC NameN-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
SMILESCC(C)CN(CCNC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C)CC(C)C
InChIInChI=1S/C22H44N2O2/c1-16(2)13-24(14-17(3)4)11-10-23-22(25)15-26-21-12-19(7)8-9-20(21)18(5)6/h16-21H,8-15H2,1-7H3,(H,23,25)/t19-,20+,21-/m1/s1
InChIKeyLXNNOFRESHBDOJ-QHAWAJNXSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 120829592
N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 100841944
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 47029916
3-[methyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119362785
N-(2-hydroxyethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 19762372
4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid
CID 120543134

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide (CID 59992252) is N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The canonical SMILES for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is CC(C)CN(CCNC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C)CC(C)C.
What is the InChIKey of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
The InChIKey is LXNNOFRESHBDOJ-QHAWAJNXSA-N. The full InChI is InChI=1S/C22H44N2O2/c1-16(2)13-24(14-17(3)4)11-10-23-22(25)15-26-21-12-19(7)8-9-20(21)18(5)6/h16-21H,8-15H2,1-7H3,(H,23,25)/t19-,20+,21-/m1/s1.
What are the key properties of N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide?
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide has a molecular weight of 368.61 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide is sourced from PubChem (CID 59992252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).