3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen

C16H26N2O — CID 156841303

IUPAC3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen
SMILESC/C=C(\C)c1cc(C(=O)NCCN(C)C)ccc1C.[H][H]
InChIInChI=1S/C16H24N2O.H2/c1-6-12(2)15-11-14(8-7-13(15)3)16(19)17-9-10-18(4)5;/h6-8,11H,9-10H2,1-5H3,(H,17,19);1H/b12-6+;
InChIKeyFOWWXXNHSMZDGH-WXIWBVQFSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds5

About 3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen

3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen (PubChem CID 156841303) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen.

Molecular Properties

Compound Name3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen
PubChem CID156841303
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen
SMILESC/C=C(\C)c1cc(C(=O)NCCN(C)C)ccc1C.[H][H]
InChIInChI=1S/C16H24N2O.H2/c1-6-12(2)15-11-14(8-7-13(15)3)16(19)17-9-10-18(4)5;/h6-8,11H,9-10H2,1-5H3,(H,17,19);1H/b12-6+;
InChIKeyFOWWXXNHSMZDGH-WXIWBVQFSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
N-[2-(dimethylamino)ethyl]-4-methyl-3-nitrobenzamide
CID 878179
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
CID 156841315
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285
N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide
CID 171383887
(E)-3-[2-chloro-4-[2-(dimethylamino)ethylcarbamoyl]phenyl]prop-2-enoic acid
CID 81307404
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen?
The IUPAC name of 3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen (CID 156841303) is 3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen.
What is the SMILES notation for 3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen?
The canonical SMILES for 3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen is C/C=C(\C)c1cc(C(=O)NCCN(C)C)ccc1C.[H][H].
What is the InChIKey of 3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen?
The InChIKey is FOWWXXNHSMZDGH-WXIWBVQFSA-N. The full InChI is InChI=1S/C16H24N2O.H2/c1-6-12(2)15-11-14(8-7-13(15)3)16(19)17-9-10-18(4)5;/h6-8,11H,9-10H2,1-5H3,(H,17,19);1H/b12-6+;.
What are the key properties of 3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen?
3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen has a molecular weight of 262.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-en-2-yl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;molecular hydrogen is sourced from PubChem (CID 156841303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).