(2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide

C18H28N2O — CID 95735056

IUPAC(2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide
SMILESC[C@@H]1CCC[C@H](NC(=O)[C@@](C)(c2ccccc2)N(C)C)C1
InChIInChI=1S/C18H28N2O/c1-14-9-8-12-16(13-14)19-17(21)18(2,20(3)4)15-10-6-5-7-11-15/h5-7,10-11,14,16H,8-9,12-13H2,1-4H3,(H,19,21)/t14-,16+,18-/m1/s1
InChIKeyHLBKQWNHXCVNLD-UWWQBHOKSA-N
MW288.44 g/mol
LogP3.16
Rot. Bonds4

About (2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide

(2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide (PubChem CID 95735056) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide
PubChem CID95735056
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide
SMILESC[C@@H]1CCC[C@H](NC(=O)[C@@](C)(c2ccccc2)N(C)C)C1
InChIInChI=1S/C18H28N2O/c1-14-9-8-12-16(13-14)19-17(21)18(2,20(3)4)15-10-6-5-7-11-15/h5-7,10-11,14,16H,8-9,12-13H2,1-4H3,(H,19,21)/t14-,16+,18-/m1/s1
InChIKeyHLBKQWNHXCVNLD-UWWQBHOKSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide (CID 95735056) is (2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide is C[C@@H]1CCC[C@H](NC(=O)[C@@](C)(c2ccccc2)N(C)C)C1.
What is the InChIKey of (2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide?
The InChIKey is HLBKQWNHXCVNLD-UWWQBHOKSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-9-8-12-16(13-14)19-17(21)18(2,20(3)4)15-10-6-5-7-11-15/h5-7,10-11,14,16H,8-9,12-13H2,1-4H3,(H,19,21)/t14-,16+,18-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide?
(2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-[(1S,3R)-3-methylcyclohexyl]-2-phenylpropanamide is sourced from PubChem (CID 95735056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).