2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine

C27H39N3O — CID 87600437

IUPAC2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@H](C)Cc1ccccc1.CCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C14H22N2O.C13H17N/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h7-9H,5-6,10H2,1-4H3,(H,15,17);1,5-9,12H,10-11H2,2-3H3/t;12-/m.1/s1
InChIKeyCJSBOBIBLSZKLV-MBBUEALLSA-N
MW421.63 g/mol
LogP4.77
Rot. Bonds9

About 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine

2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine (PubChem CID 87600437) has the molecular formula C27H39N3O and a molecular weight of 421.63 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
PubChem CID87600437
Molecular FormulaC27H39N3O
Molecular Weight421.63 g/mol
Exact Mass421.31
IUPAC Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
SMILESC#CCN(C)[C@H](C)Cc1ccccc1.CCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C14H22N2O.C13H17N/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h7-9H,5-6,10H2,1-4H3,(H,15,17);1,5-9,12H,10-11H2,2-3H3/t;12-/m.1/s1
InChIKeyCJSBOBIBLSZKLV-MBBUEALLSA-N
XLogP4.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.63
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene
CID 174517449
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
(2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
CID 9221814
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8541792

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine (CID 87600437) is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine.
What is the SMILES notation for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The canonical SMILES for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine is C#CCN(C)[C@H](C)Cc1ccccc1.CCN(CC)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
The InChIKey is CJSBOBIBLSZKLV-MBBUEALLSA-N. The full InChI is InChI=1S/C14H22N2O.C13H17N/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h7-9H,5-6,10H2,1-4H3,(H,15,17);1,5-9,12H,10-11H2,2-3H3/t;12-/m.1/s1.
What are the key properties of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine?
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine has a molecular weight of 421.63 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine is sourced from PubChem (CID 87600437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).