trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

C18H26N2O2 — CID 99858600

IUPACtrans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESC[C@@H]1CC(=O)CC[C@H]1C(=O)N(Cc1ccccn1)C(C)(C)C
InChIInChI=1S/C18H26N2O2/c1-13-11-15(21)8-9-16(13)17(22)20(18(2,3)4)12-14-7-5-6-10-19-14/h5-7,10,13,16H,8-9,11-12H2,1-4H3/t13-,16-/m1/s1
InChIKeyPPCZFRLAVMRIEX-CZUORRHYSA-N
MW302.42 g/mol
LogP3.21
Rot. Bonds3

About trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 99858600) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID99858600
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametrans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESC[C@@H]1CC(=O)CC[C@H]1C(=O)N(Cc1ccccn1)C(C)(C)C
InChIInChI=1S/C18H26N2O2/c1-13-11-15(21)8-9-16(13)17(22)20(18(2,3)4)12-14-7-5-6-10-19-14/h5-7,10,13,16H,8-9,11-12H2,1-4H3/t13-,16-/m1/s1
InChIKeyPPCZFRLAVMRIEX-CZUORRHYSA-N
XLogP3.21
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 91662409
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 94822499
tert-butyl (3S,4S)-3-methyl-4-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 122151475
1-[tert-butyl(pyridin-2-ylmethyl)amino]piperidine-4-carboxylic acid
CID 174808525
N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 86806985
2-cyclopropyl-2-[methyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 114991932
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647426
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 75387475
2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388294
4-methyl-3-pyridin-2-ylsulfanylcyclohexan-1-one
CID 165497200
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide (CID 99858600) is trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is C[C@@H]1CC(=O)CC[C@H]1C(=O)N(Cc1ccccn1)C(C)(C)C.
What is the InChIKey of trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is PPCZFRLAVMRIEX-CZUORRHYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-11-15(21)8-9-16(13)17(22)20(18(2,3)4)12-14-7-5-6-10-19-14/h5-7,10,13,16H,8-9,11-12H2,1-4H3/t13-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide?
trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 99858600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).