2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide

C22H28N2O2 — CID 72890883

IUPAC2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCc1ccccc1C(C(=O)N(C/C=C/c1ccccc1)CCO)N(C)C
InChIInChI=1S/C22H28N2O2/c1-18-10-7-8-14-20(18)21(23(2)3)22(26)24(16-17-25)15-9-13-19-11-5-4-6-12-19/h4-14,21,25H,15-17H2,1-3H3/b13-9+
InChIKeyWLQVTSDMVAUNRL-UKTHLTGXSA-N
MW352.48 g/mol
LogP3.13
Rot. Bonds8

About 2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide

2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide (PubChem CID 72890883) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
PubChem CID72890883
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCc1ccccc1C(C(=O)N(C/C=C/c1ccccc1)CCO)N(C)C
InChIInChI=1S/C22H28N2O2/c1-18-10-7-8-14-20(18)21(23(2)3)22(26)24(16-17-25)15-9-13-19-11-5-4-6-12-19/h4-14,21,25H,15-17H2,1-3H3/b13-9+
InChIKeyWLQVTSDMVAUNRL-UKTHLTGXSA-N
XLogP3.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide
CID 97278889
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 97203477
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 171134574
N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134622
N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
CID 122692160
(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide
CID 97282177
N-(3,3-diphenylpropyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide
CID 42696449
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-propyl-N-(thiophen-3-ylmethyl)acetamide
CID 97285779
N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]-2-thiophen-3-ylacetamide
CID 50962725
N-(2-hydroxyethyl)-5-(4-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]pyrazolidine-3-carboxamide
CID 133108315

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide (CID 72890883) is 2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide is Cc1ccccc1C(C(=O)N(C/C=C/c1ccccc1)CCO)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The InChIKey is WLQVTSDMVAUNRL-UKTHLTGXSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18-10-7-8-14-20(18)21(23(2)3)22(26)24(16-17-25)15-9-13-19-11-5-4-6-12-19/h4-14,21,25H,15-17H2,1-3H3/b13-9+.
What are the key properties of 2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 72890883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).