4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide

C19H30N2O — CID 130233505

IUPAC4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1(C)CCC(C(=O)NCCc2ccncc2)CC1
InChIInChI=1S/C19H30N2O/c1-18(2,3)19(4)10-5-16(6-11-19)17(22)21-14-9-15-7-12-20-13-8-15/h7-8,12-13,16H,5-6,9-11,14H2,1-4H3,(H,21,22)
InChIKeyOTKUXESVHGXKMY-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.98
Rot. Bonds4

About 4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide

4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 130233505) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID130233505
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C1(C)CCC(C(=O)NCCc2ccncc2)CC1
InChIInChI=1S/C19H30N2O/c1-18(2,3)19(4)10-5-16(6-11-19)17(22)21-14-9-15-7-12-20-13-8-15/h7-8,12-13,16H,5-6,9-11,14H2,1-4H3,(H,21,22)
InChIKeyOTKUXESVHGXKMY-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide
CID 169420316
cis-(1S,2R)-2-(2-pyridin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 713934
3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
CID 129259489
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553
4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120954724
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
[(1R,6S)-6-(2-pyridin-4-ylethylcarbamoyl)cyclohex-3-en-1-yl] acetate
CID 126515191
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
(3S)-1-tert-butyl-5-oxo-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
CID 97110470
N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide
CID 139634561

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide (CID 130233505) is 4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide is CC(C)(C)C1(C)CCC(C(=O)NCCc2ccncc2)CC1.
What is the InChIKey of 4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is OTKUXESVHGXKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-18(2,3)19(4)10-5-16(6-11-19)17(22)21-14-9-15-7-12-20-13-8-15/h7-8,12-13,16H,5-6,9-11,14H2,1-4H3,(H,21,22).
What are the key properties of 4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 130233505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).