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

C22H28N2O2 — CID 97277704

IUPAC(2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCc1ccccc1[C@H](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+/t21-/m1/s1
InChIKeyWLQVTSDMVAUNRL-XYJBSGBBSA-N
MW352.48 g/mol
LogP3.13
Rot. Bonds8

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

(2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide (PubChem CID 97277704) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
PubChem CID97277704
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESCc1ccccc1[C@H](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+/t21-/m1/s1
InChIKeyWLQVTSDMVAUNRL-XYJBSGBBSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide (CID 97277704) is (2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide is Cc1ccccc1[C@H](C(=O)N(C/C=C/c1ccccc1)CCO)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The InChIKey is WLQVTSDMVAUNRL-XYJBSGBBSA-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+/t21-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
(2R)-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 (2R)-2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 97277704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).