3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide

C20H32N2O — CID 47082069

IUPAC3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCC2CCCCC2)N(C)C)cc1
InChIInChI=1S/C20H32N2O/c1-16-9-12-18(13-10-16)19(22(2)3)15-21-20(23)14-11-17-7-5-4-6-8-17/h9-10,12-13,17,19H,4-8,11,14-15H2,1-3H3,(H,21,23)
InChIKeyNRFXYDQSLNUMHU-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.07
Rot. Bonds7

About 3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide

3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide (PubChem CID 47082069) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide
PubChem CID47082069
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCC2CCCCC2)N(C)C)cc1
InChIInChI=1S/C20H32N2O/c1-16-9-12-18(13-10-16)19(22(2)3)15-21-20(23)14-11-17-7-5-4-6-8-17/h9-10,12-13,17,19H,4-8,11,14-15H2,1-3H3,(H,21,23)
InChIKeyNRFXYDQSLNUMHU-UHFFFAOYSA-N
XLogP4.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea
CID 60597856
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-methylurea
CID 125440857
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
3-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888869
N-(2-chloro-2-phenylethyl)-3-cyclohexylpropanamide
CID 114296062
N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide
CID 114308467
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 90581766
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443868
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide
CID 47082053
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide (CID 47082069) is 3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide is Cc1ccc(C(CNC(=O)CCC2CCCCC2)N(C)C)cc1.
What is the InChIKey of 3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is NRFXYDQSLNUMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-16-9-12-18(13-10-16)19(22(2)3)15-21-20(23)14-11-17-7-5-4-6-8-17/h9-10,12-13,17,19H,4-8,11,14-15H2,1-3H3,(H,21,23).
What are the key properties of 3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide?
3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 316.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 47082069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).