4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide

C22H28N2O2 — CID 70041393

IUPAC4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=CCN(C)C)c2cccc(O)c2)cc1
InChIInChI=1S/C22H28N2O2/c1-5-24(6-2)22(26)18-12-10-17(11-13-18)21(14-15-23(3)4)19-8-7-9-20(25)16-19/h7-14,16,25H,5-6,15H2,1-4H3
InChIKeyZKLAXFLDXDSBPR-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.87
Rot. Bonds7

About 4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide

4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide (PubChem CID 70041393) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide
PubChem CID70041393
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=CCN(C)C)c2cccc(O)c2)cc1
InChIInChI=1S/C22H28N2O2/c1-5-24(6-2)22(26)18-12-10-17(11-13-18)21(14-15-23(3)4)19-8-7-9-20(25)16-19/h7-14,16,25H,5-6,15H2,1-4H3
InChIKeyZKLAXFLDXDSBPR-UHFFFAOYSA-N
XLogP3.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-3-(dimethylamino)-1-(3-methoxyphenyl)prop-1-enyl]-N,N-diethylbenzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 70039549
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
CID 79667906
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
CID 54986420
N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide
CID 99843072
N,N-diethyl-4-[(3-hydroxyphenyl)-(1-methoxypiperidin-4-ylidene)methyl]benzamide
CID 142966943
CID 174412487
CID 174412487
N,N-diethyl-5-hydroxynaphthalene-2-carboxamide
CID 172677597
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
N-[2-(dimethylamino)ethyl]-3-hydroxy-N-(naphthalen-1-ylmethyl)benzamide
CID 20628546

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide (CID 70041393) is 4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=CCN(C)C)c2cccc(O)c2)cc1.
What is the InChIKey of 4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide?
The InChIKey is ZKLAXFLDXDSBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-24(6-2)22(26)18-12-10-17(11-13-18)21(14-15-23(3)4)19-8-7-9-20(25)16-19/h7-14,16,25H,5-6,15H2,1-4H3.
What are the key properties of 4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide?
4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide has a molecular weight of 352.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-1-(3-hydroxyphenyl)prop-1-enyl]-N,N-diethylbenzamide is sourced from PubChem (CID 70041393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).