(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide

C19H30N2O — CID 67284066

IUPAC(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C19H30N2O/c1-13(2)17-9-8-14(3)11-18(17)19(22)21-15(4)12-16-7-5-6-10-20-16/h5-7,10,13-15,17-18H,8-9,11-12H2,1-4H3,(H,21,22)/t14-,15?,17+,18-/m1/s1
InChIKeyVQNDDYRQMAHDFN-IOVMHBDKSA-N
MW302.46 g/mol
LogP3.84
Rot. Bonds5

About (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide

(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide (PubChem CID 67284066) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide
PubChem CID67284066
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C19H30N2O/c1-13(2)17-9-8-14(3)11-18(17)19(22)21-15(4)12-16-7-5-6-10-20-16/h5-7,10,13-15,17-18H,8-9,11-12H2,1-4H3,(H,21,22)/t14-,15?,17+,18-/m1/s1
InChIKeyVQNDDYRQMAHDFN-IOVMHBDKSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-pyridin-2-ylbutan-1-one
CID 67188253
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone
CID 10955833
(1R,2S,5R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992313
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-pyridin-2-ylethyl)carbamate
CID 134351227
5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
CID 175475904
5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831556
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329
(1R,2S,5R)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992260
(2S)-N-(2-acetamido-2-phenylethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 129070902

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide (CID 67284066) is (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide is CC(Cc1ccccn1)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is VQNDDYRQMAHDFN-IOVMHBDKSA-N. The full InChI is InChI=1S/C19H30N2O/c1-13(2)17-9-8-14(3)11-18(17)19(22)21-15(4)12-16-7-5-6-10-20-16/h5-7,10,13-15,17-18H,8-9,11-12H2,1-4H3,(H,21,22)/t14-,15?,17+,18-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide?
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-propan-2-yl-N-(1-pyridin-2-ylpropan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 67284066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).