N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide

C25H36N2O5 — CID 55931587

IUPACN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)CCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C25H36N2O5/c1-6-27(7-2)14-15-32-22-12-9-20(17-24(22)31-5)18-26-25(28)13-10-19-8-11-21(29-3)23(16-19)30-4/h8-9,11-12,16-17H,6-7,10,13-15,18H2,1-5H3,(H,26,28)
InChIKeyACGHOCGTZABZHI-UHFFFAOYSA-N
MW444.57 g/mol
LogP3.68
Rot. Bonds14

About N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide

N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 55931587) has the molecular formula C25H36N2O5 and a molecular weight of 444.57 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID55931587
Molecular FormulaC25H36N2O5
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)CCc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C25H36N2O5/c1-6-27(7-2)14-15-32-22-12-9-20(17-24(22)31-5)18-26-25(28)13-10-19-8-11-21(29-3)23(16-19)30-4/h8-9,11-12,16-17H,6-7,10,13-15,18H2,1-5H3,(H,26,28)
InChIKeyACGHOCGTZABZHI-UHFFFAOYSA-N
XLogP3.68
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide
CID 55930556
N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55930691
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 55931191
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
CID 108743920
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide
CID 55931317
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55931330
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 55931587) is N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide is CCN(CC)CCOc1ccc(CNC(=O)CCc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is ACGHOCGTZABZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O5/c1-6-27(7-2)14-15-32-22-12-9-20(17-24(22)31-5)18-26-25(28)13-10-19-8-11-21(29-3)23(16-19)30-4/h8-9,11-12,16-17H,6-7,10,13-15,18H2,1-5H3,(H,26,28).
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 444.57 g/mol, XLogP of 3.68, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 55931587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).