N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide

C23H32N2O4 — CID 55470741

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCCN(CC)C(CNC(=O)Cc1ccc(OC)c(OC)c1)c1cccc(OC)c1
InChIInChI=1S/C23H32N2O4/c1-6-25(7-2)20(18-9-8-10-19(15-18)27-3)16-24-23(26)14-17-11-12-21(28-4)22(13-17)29-5/h8-13,15,20H,6-7,14,16H2,1-5H3,(H,24,26)
InChIKeyJXVYXMFXJACLLK-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.45
Rot. Bonds11

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 55470741) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID55470741
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCCN(CC)C(CNC(=O)Cc1ccc(OC)c(OC)c1)c1cccc(OC)c1
InChIInChI=1S/C23H32N2O4/c1-6-25(7-2)20(18-9-8-10-19(15-18)27-3)16-24-23(26)14-17-11-12-21(28-4)22(13-17)29-5/h8-13,15,20H,6-7,14,16H2,1-5H3,(H,24,26)
InChIKeyJXVYXMFXJACLLK-UHFFFAOYSA-N
XLogP3.45
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 55470741) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide is CCN(CC)C(CNC(=O)Cc1ccc(OC)c(OC)c1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is JXVYXMFXJACLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-6-25(7-2)20(18-9-8-10-19(15-18)27-3)16-24-23(26)14-17-11-12-21(28-4)22(13-17)29-5/h8-13,15,20H,6-7,14,16H2,1-5H3,(H,24,26).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 400.52 g/mol, XLogP of 3.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 55470741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).