(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

C12H23NO — CID 58330084

IUPAC(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)10-6-5-9(3)7-11(10)12(14)13-4/h8-11H,5-7H2,1-4H3,(H,13,14)/t9-,10+,11-/m1/s1
InChIKeyCOUUXWBCHWHELF-OUAUKWLOSA-N
MW197.32 g/mol
LogP2.44
Rot. Bonds2

About (1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 58330084) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID58330084
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)10-6-5-9(3)7-11(10)12(14)13-4/h8-11H,5-7H2,1-4H3,(H,13,14)/t9-,10+,11-/m1/s1
InChIKeyCOUUXWBCHWHELF-OUAUKWLOSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
methyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 66779130
3-hydroxybutan-2-yl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 24898819
N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide
CID 139580700
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 154148941
5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide
CID 87694717
(1R,2S,5R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992313
N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 140775965

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 58330084) is (1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide is CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is COUUXWBCHWHELF-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)10-6-5-9(3)7-11(10)12(14)13-4/h8-11H,5-7H2,1-4H3,(H,13,14)/t9-,10+,11-/m1/s1.
What are the key properties of (1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 197.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 58330084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).