N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide

C23H32N2O4 — CID 46480012

IUPACN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C23H32N2O4/c1-6-25(7-2)12-13-29-20-11-9-8-10-18(20)16-24-23(26)19-14-21(27-4)17(3)22(15-19)28-5/h8-11,14-15H,6-7,12-13,16H2,1-5H3,(H,24,26)
InChIKeyAFPJBUCIZJXBMM-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.66
Rot. Bonds11

About N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide

N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 46480012) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID46480012
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C23H32N2O4/c1-6-25(7-2)12-13-29-20-11-9-8-10-18(20)16-24-23(26)19-14-21(27-4)17(3)22(15-19)28-5/h8-11,14-15H,6-7,12-13,16H2,1-5H3,(H,24,26)
InChIKeyAFPJBUCIZJXBMM-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 119946527
(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
CID 119848384
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55728087
N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 37399073
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60513558
2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 119848368
2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 60513634
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60513635
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 47070413
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46479986
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46480009

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide (CID 46480012) is N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide is CCN(CC)CCOc1ccccc1CNC(=O)c1cc(OC)c(C)c(OC)c1.
What is the InChIKey of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is AFPJBUCIZJXBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-6-25(7-2)12-13-29-20-11-9-8-10-18(20)16-24-23(26)19-14-21(27-4)17(3)22(15-19)28-5/h8-11,14-15H,6-7,12-13,16H2,1-5H3,(H,24,26).
What are the key properties of N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 400.52 g/mol, XLogP of 3.66, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 46480012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).