1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide

C18H28N2O — CID 51357520

IUPAC1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1(C(=O)NCCc2ccccn2)CCCCC1
InChIInChI=1S/C18H28N2O/c1-17(2,3)18(11-6-4-7-12-18)16(21)20-14-10-15-9-5-8-13-19-15/h5,8-9,13H,4,6-7,10-12,14H2,1-3H3,(H,20,21)
InChIKeyCEDFQPQWJFPRIP-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.74
Rot. Bonds4

About 1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide

1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide (PubChem CID 51357520) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
PubChem CID51357520
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1(C(=O)NCCc2ccccn2)CCCCC1
InChIInChI=1S/C18H28N2O/c1-17(2,3)18(11-6-4-7-12-18)16(21)20-14-10-15-9-5-8-13-19-15/h5,8-9,13H,4,6-7,10-12,14H2,1-3H3,(H,20,21)
InChIKeyCEDFQPQWJFPRIP-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
2-[1-(methylamino)cyclohexyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 65240965
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 113280565
3-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 106979600
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide (CID 51357520) is 1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide is CC(C)(C)C1(C(=O)NCCc2ccccn2)CCCCC1.
What is the InChIKey of 1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is CEDFQPQWJFPRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2,3)18(11-6-4-7-12-18)16(21)20-14-10-15-9-5-8-13-19-15/h5,8-9,13H,4,6-7,10-12,14H2,1-3H3,(H,20,21).
What are the key properties of 1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide?
1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51357520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).