(1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide

C18H36N2O — CID 165059161

IUPAC(1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide
SMILESCCC[C@@H]1CC[C@@H](CC)[C@@](NCC)(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C18H36N2O/c1-7-10-14-11-12-15(8-2)18(13-14,19-9-3)16(21)20-17(4,5)6/h14-15,19H,7-13H2,1-6H3,(H,20,21)/t14-,15-,18-/m1/s1
InChIKeyQXMYPHYTGQFJRB-IIDMSEBBSA-N
MW296.50 g/mol
LogP3.88
Rot. Bonds6

About (1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide

(1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide (PubChem CID 165059161) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is (1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide
PubChem CID165059161
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name(1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide
SMILESCCC[C@@H]1CC[C@@H](CC)[C@@](NCC)(C(=O)NC(C)(C)C)C1
InChIInChI=1S/C18H36N2O/c1-7-10-14-11-12-15(8-2)18(13-14,19-9-3)16(21)20-17(4,5)6/h14-15,19H,7-13H2,1-6H3,(H,20,21)/t14-,15-,18-/m1/s1
InChIKeyQXMYPHYTGQFJRB-IIDMSEBBSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-{1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 3501377
N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 4640083
N-{2-[Bis(2-methylpropyl)amino]ethyl}-2-[(4-ethylcyclohexyl)formamido]-3-methylbutanamide
CID 15987922
N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 45840326
5-Methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
CID 54892967
3,4-Dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
CID 64746246
2,3-Dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
CID 64753920
2,4-Dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
CID 64754122
2,5-Dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
CID 64754123
2,4,4-Trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
CID 81321160
2-Propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
CID 81916942
3-Propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
CID 107449329

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide (CID 165059161) is (1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide is CCC[C@@H]1CC[C@@H](CC)[C@@](NCC)(C(=O)NC(C)(C)C)C1.
What is the InChIKey of (1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide?
The InChIKey is QXMYPHYTGQFJRB-IIDMSEBBSA-N. The full InChI is InChI=1S/C18H36N2O/c1-7-10-14-11-12-15(8-2)18(13-14,19-9-3)16(21)20-17(4,5)6/h14-15,19H,7-13H2,1-6H3,(H,20,21)/t14-,15-,18-/m1/s1.
What are the key properties of (1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide?
(1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide has a molecular weight of 296.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 165059161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).