4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide

C23H33N3O2 — CID 10762543

IUPAC4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(NCCN(C)C)c2cccc(OC)c2)cc1
InChIInChI=1S/C23H33N3O2/c1-6-26(7-2)23(27)19-13-11-18(12-14-19)22(24-15-16-25(3)4)20-9-8-10-21(17-20)28-5/h8-14,17,22,24H,6-7,15-16H2,1-5H3
InChIKeyUWWHXJUMGYMUHH-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.42
Rot. Bonds10

About 4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide

4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide (PubChem CID 10762543) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
PubChem CID10762543
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(NCCN(C)C)c2cccc(OC)c2)cc1
InChIInChI=1S/C23H33N3O2/c1-6-26(7-2)23(27)19-13-11-18(12-14-19)22(24-15-16-25(3)4)20-9-8-10-21(17-20)28-5/h8-14,17,22,24H,6-7,15-16H2,1-5H3
InChIKeyUWWHXJUMGYMUHH-UHFFFAOYSA-N
XLogP3.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide (CID 10762543) is 4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(NCCN(C)C)c2cccc(OC)c2)cc1.
What is the InChIKey of 4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide?
The InChIKey is UWWHXJUMGYMUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-6-26(7-2)23(27)19-13-11-18(12-14-19)22(24-15-16-25(3)4)20-9-8-10-21(17-20)28-5/h8-14,17,22,24H,6-7,15-16H2,1-5H3.
What are the key properties of 4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide?
4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide has a molecular weight of 383.54 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethylamino]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10762543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).